Selective catalytic chemistry at Rhodium(II) nodes in bimetallic metal-organic frameworks
Explore the source record for details and available documents.
99 GENERAL AND MISCELLANEOUS↗
SEARCH · Search NASA
Results for “Node selection”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Selective Catalytic Chemistry at Rhodium(II) Nodes in Bimetallic Metal-Organic Frameworks
Explore the source record for details and available documents.
99 GENERAL AND MISCELLANEOUS↗
Fault tolerant hypercube computer system architecture
A fault-tolerant multiprocessor computer system of the hypercube type comprising a hierarchy of computers of like kind which can be functionally substituted for one another as necessary is disclosed. Communication between the working nodes is via one communications network while communications between the working nodes and watch dog nodes and load balancing nodes higher in the structure is via another communications network separate from the first. A typical branch of the hierarchy reporting to a master node or host computer comprises, a plurality of first computing nodes; a first network of message conducting paths for interconnecting the first computing nodes as a hypercube. The first network provides a path for message transfer between the first computing nodes; a first watch dog node; and a second network of message connecting paths for connecting the first computing nodes to the first watch dog node independent from the first network, the second network provides an independent path for test message and reconfiguration affecting transfers between the first computing nodes and the first switch watch dog node. There is additionally, a plurality of second computing nodes; a third network of message conducting paths for interconnecting the second computing nodes as a hypercube. The third network provides a path for message transfer between the second computing nodes; a fourth network of message conducting paths for connecting the second computing nodes to the first watch dog node independent from the third network. The fourth network provides an independent path for test message and reconfiguration affecting transfers between the second computing nodes and the first watch dog node; and a first multiplexer disposed between the first watch dog node and the second and fourth networks for allowing the first watch dog node to selectively communicate with individual ones of the computing nodes through the second and fourth networks; as well as, a second watch dog node operably connected to the first multiplexer whereby the second watch dog node can selectively communicate with individual ones of the computing nodes through the second and fourth networks. The branch is completed by a first load balancing node; and a second multiplexer connected between the first load balancing node and the first and second watch dog nodes, allowing the first load balancing node to selectively communicate with the first and second watch dog nodes.
Madan, Herb S.↗
Deep Factorization Machine Learning for Disaggregation of Transmission Load Profiles with High Penetration of Behind-The-Meter Solar
The ever-growing integration of distributed energy resources (DERs), especially behind-the-meter (BTM) solar generations, poses imperative operational challenges to system operators such as regional transmission organizations (RTOs). It is important for RTOs to effectively and accurately extract actual load profiles at the transmission level for a single node with significant BTM solar injection. This paper first illustrates the necessity of disaggregating the daily actual load profile of a single node. Furthermore, by segmenting nodes with selected timeseries features, nodes with significant BTM solar generation are identified. Lastly, a bi-level framework is proposed, comprising reference node disaggregation and DeepFM nodal disaggregation, aimed at disaggregating the nodal load profiles from which system operators require more information. By adopting a hybrid Deep Factorization Machine (DeepFM) model, the model achieve accurate results by extracting both linear and nonlinear relations between nodes in the same region and the zonal load and nodal load profile. To overcome the lack of ground truth, this paper segments the load profile into daytime, nighttime, and zero-crossing points and utilizes the latter two for evaluation purposes. The proposed disaggregation procedure is validated using real world, minute-level, normalized, and anonymized nodal data in the PJM service territory.
42 ENGINEERING↗
A Finite Element Approach for Simplified 2D Nonlinear Dynamic Contact/Impact Analysis
In this paper, a simplified numerical approach for finite element dynamic analysis of an inelastic solid structure subjected to solid object impact is presented. The approach approximates the impacting solid as the selected multiple nodes, for which mass of the impactor is distributed. The node-to-segment contact formulation with the penalty constraint technique incorporated is employed to impose contact conditions between the nodes and the surface of the receiver structure. The node-to-segment algorithm is integrated into Newton–Raphson time integration scheme and the Lagrange multiplier technique is applied to enforce the identical displacements for the selected nodes throughout the analysis process. The approach is verified using two-dimensional plane strain models considering elastic-perfectly-plastic material behavior. The results obtained using the proposed approach are in a good agreement with those simulated using a commercial finite element code, ABAQUS dynamic/implicit, in terms of displacements and stress distribution fields. The proposed approach is shown to be computationally superior to general finite element method-based contact/impact analysis without significantly sacrificing the accuracy.
Seungwook Seok↗
Developing a MATLAB(registered)-Based Tool for Visualization and Transformation
An important step in the structural design and development of spacecraft is the experimental identification of a structure s modal characteristics, such as its natural frequencies and modes of vibration. These characteristics are vital to developing a representative model of any given structure or analyzing the range of input frequencies that can be handled by a particular structure. When setting up such a representative model of a structure, careful measurements using precision equipment (such as accelerometers and instrumented hammers) must be made on many individual points of the structure in question. The coordinate location of each data point is used to construct a wireframe geometric model of the structure. Response measurements obtained from the accelerometers is used to generate the modal shapes of the particular structure. Graphically, this is displayed as a combination of the ways a structure will ideally respond to a specified force input. Two types of models of the tested structure are often used in modal analysis: an analytic model showing expected behavior of the structure, and an experimental model showing measured results due to observed phenomena. To evaluate the results from the experimental model, a comparison of analytic and experimental results must be made between the two models. However, comparisons between these two models become difficult when the two coordinate orientations differ in a manner such that results are displayed in an unclear fashion. Such a problem proposes the need for a tool that not only communicates a graphical image of a structure s wireframe geometry based on various measurement locations (called nodes), but also allows for a type of transformation of the image s coordinate geometry so that a model s coordinate orientation is made to match the orientation of another model. Such a tool should also be designed so that it is able to construct coordinate geometry based on many different listings of node locations and is able to transform the wireframe coordinate orientation to match almost any possible orientation (i.e. it should not be a problem specific application) if it is to be of much value in modal analysis. Also, since universal files are used to store modal parameters and wireframe geometry, the tool must be able to read and extract information from universal files and use these files to exchange model data.The purpose of this project is to develop such a tool as a computer graphical user interface (GUI) capable of performing the following tasks: 1) Browsing for a particular universal file within the computer directory and displaying the name of this file to the screen; 2) Plotting each of the nodes within the universal file in a useful, descriptive, and easily understood figure; 3) Reading the node numbers from the selected file and listing these node numbers to the user for selection in an easily accessible format; 4) Allowing for user selection of a new model orientation defined by three selected nodes; and 5) Allowing the user to specify a directory to which the transformed model s node locations will be saved, and saving the transformed node locations to the specified file.
Anderton, Blake J.↗
Dynamic frequency control in power networks
Node controllers in power distribution networks in accordance with embodiments of the invention enable dynamic frequency control. One embodiment includes a node controller comprising a network interface a processor; and a memory containing a frequency control application; and a plurality of node operating parameters describing the operating parameters of a node, where the node is selected from a group consisting of at least one generator node in a power distribution network wherein the processor is configured by the frequency control application to calculate a plurality of updated node operating parameters using a distributed process to determine the updated node operating parameter using the node operating parameters, where the distributed process controls network frequency in the power distribution network; and adjust the node operating parameters.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Routing Based on Length of Time of Available Connection
In an embodiment, a method of routing packets at a first node in an ad-hoc network is provided. The method includes receiving, at the first node, a plurality of route-alive messages corresponding to a destination, each of the plurality of route-alive messages including a route time indicating a length of time in which a communicative connection is available between the second node that sent the respective route-alive message and the destination. The method also includes determining an updated route time for each second node. The updated route time corresponds to a length of time in which a communication connection is available between the first node and the destination through the respective second node. A second node is selected for sending a packet to based on the updated route time for each of the second nodes, wherein a node having a longer updated route time is given higher priority for selection.
Anandappan, Thanga↗
Site-Selective Probes of Mixed-Node Metal Organic Frameworks for Photocatalytic Hydrogen Generation
Metal organic frameworks (MOFs) have emerged as a novel platform offering new promise for photocatalytic applications. In this work, we report a mixed-node MOF (MOF-74) based on earth-abundant metals (i.e., Co and Fe) as highly active and robust photocatalysts for visible light-driven H 2 generation. Using in situ X-ray absorption spectroscopy which allows us to selectively probe the individual metal node in MOFs, we unambiguously identified the catalytic active sites and captured the key intermediate species under the standard catalytic conditions. We show that both Co and Fe centers in MOF-74 are the reversible active sites, and the accumulation of their reduced states is responsible for the observed induction period for H 2 generation. Moreover, we captured the key intermediate species formed when the reaction reaches equilibrium, which is featured by an elongated Co–O bond at the Co center and a more distorted octahedral geometry at the Fe center with respect to their original geometry. These results not only demonstrate the potential of MOF-74 as a single site catalyst for H 2 generation but also provide new insight into the catalytic mechanism for further development.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Node-Solution Microenvironment Governs the Selectivity of Thioanisole Oxidation within Catalytic Zr-Based Metal–Organic Framework
Lewis acidic metal oxides, including zirconia (ZrO 2 ), are catalytically active toward oxidative reactions in the presence of sacrificial oxidants like t-butyl hydroperoxide (TBHP). The structural ambiguity and heterogeneity of the ZrO 2 surface impose challenges to chemists in understanding the reaction mechanism down to atomic-level precision. The inorganic, Zr-oxo nodes of many crystalline metal–organic frameworks (MOFs) structurally mimic ZrO 2 . Herein, we report three novel findings: (A) Zr-based MOF, Zr-MOF-808 is catalytically competent in activating TBHP to induce oxygen atom transfer (OAT) reactions to a model substrate, thioanisole, at room temperature, (B) its reaction mechanism can be derived with greater structural precision owing to the crystallinity of the MOF, and (C) the node-binding agent and other reaction conditions significantly impact the selectivity between the singly oxidized methyl phenyl sulfoxide vs the doubly oxidized sulfone. These findings suggest that both the activity and selectivity of OAT reactions within Zr-MOF-808 are governed by the chemistry occurring at the interface of the node and the surrounding reaction medium. Implications of these findings in OAT reactions and other MOF/metal oxide-catalyzed relevant catalysis are discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Role of Metal Selection in the Radiation Stability of Isostructural M-UiO-66 Metal–Organic Frameworks
Robust and versatile metal–organic frameworks (MOFs) have emerged as sophisticated scaffolds to meet the critical needs of the nuclear community, but their performance depends on their underexplored structural integrities in high- radiation fields. The contributions of selected metal nodes in the radiation stability of MOFs within the isostructural M-UiO-66 series (where M = Zr, Ce, Hf, Th, and Pu; Zr-UiO-66 experiments were executed in a previous work) have been determined. Ce-, Hf-, and Th-UiO-66 MOF samples were irradiated via gamma and He-ion methodologies to obtain doses up to 3 MGy and 85 MGy, respectively, the latter strikingly higher than that obtained in most other studies. Appreciable self-irradiation constituted the total absorbed doses, up to 31 MGy of the gamma-irradiated Pu-UiO-66 samples. Structural degradation was ascertained by powder X-ray diffraction, X-ray total scattering, vibrational spectroscopy, and, where possible, N 2 physisorption isotherms. Diffuse reflectance infrared Fourier transform spectroscopy provided atomic-level mechanistic insights to reveal that the node-linker connection was most susceptible to radiation damage. Density functional theory calculations were performed on cluster models to evaluate the binding energy of the linkers to each metal node. Here, while the isostructures disclosed the same breakdown signatures, distinct radiation sensitivity as a function of metal selection was evident and followed the trend Hf-UiO-66 ~ Zr-UiO-66 > Th-UiO-66 > Pu-UiO-66 > Ce-UiO-66. We anticipate that these endeavors will contribute to the rational design of radiation-resistant materials for targeted applications.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Unsupervised learning in neurodynamics using example-interaction approach
A new concept for unsupervised learning based upon examples introduced to the neural network is proposed. Each example is considered as an interpolation node of the velocity field in the phase space. The velocities at these nodes are selected such that all the streamlines diverge to an attracting set imbedded in the subspace occupied by the cluster of examples. The synaptic interconnections are found from the minimization of the strength energy, while the node velocities play the role of constraints.
Zak, Michail↗
Unsupervised learning in neurodynamics using example-interaction approach
A new concept for unsupervised learning based upon examples introduced to the neural network is proposed. Each example is considered as an interpolation node of the velocity field in the phase space. The velocities at these nodes are selected such that all the streamlines diverge to an attracting set imbedded in the subspace occupied by the cluster of examples. The synaptic interconnections are found from the minimization of the strength energy, while the node velocities play the role of constraints.
Zak, Michail↗
Nonlinear Finite Element Analysis of Shells with Large Aspect Ratio
A higher order degenerated shell element with nine nodes was selected for large deformation and post-buckling analysis of thick or thin shells. Elastic-plastic material properties are also included. The post-buckling analysis algorithm is given. Using a square plate, it was demonstrated that the none-node element does not have shear locking effect even if its aspect ratio was increased to the order 10 to the 8th power. Two sample problems are given to illustrate the analysis capability of the shell element.
Chang, T. Y.↗
Multiple-Flat-Panel System Displays Multidimensional Data
The NASA Ames hyperwall is a display system designed to facilitate the visualization of sets of multivariate and multidimensional data like those generated in complex engineering and scientific computations. The hyperwall includes a 77 matrix of computer-driven flat-panel video display units, each presenting an image of 1,280 1,024 pixels. The term hyperwall reflects the fact that this system is a more capable successor to prior computer-driven multiple-flat-panel display systems known by names that include the generic term powerwall and the trade names PowerWall and Powerwall. Each of the 49 flat-panel displays is driven by a rack-mounted, dual-central-processing- unit, workstation-class personal computer equipped with a hig-hperformance graphical-display circuit card and with a hard-disk drive having a storage capacity of 100 GB. Each such computer is a slave node in a master/ slave computing/data-communication system (see Figure 1). The computer that acts as the master node is similar to the slave-node computers, except that it runs the master portion of the system software and is equipped with a keyboard and mouse for control by a human operator. The system utilizes commercially available master/slave software along with custom software that enables the human controller to interact simultaneously with any number of selected slave nodes. In a powerwall, a single rendering task is spread across multiple processors and then the multiple outputs are tiled into one seamless super-display. It must be noted that the hyperwall concept subsumes the powerwall concept in that a single scene could be rendered as a mosaic image on the hyperwall. However, the hyperwall offers a wider set of capabilities to serve a different purpose: The hyperwall concept is one of (1) simultaneously displaying multiple different but related images, and (2) providing means for composing and controlling such sets of images. In place of elaborate software or hardware crossbar switches, the hyperwall concept substitutes reliance on the human visual system for integration, synthesis, and discrimination of patterns in complex and high-dimensional data spaces represented by the multiple displayed images. The variety of multidimensional data sets that can be displayed on the hyperwall is practically unlimited. For example, Figure 2 shows a hyperwall display of surface pressures and streamlines from a computational simulation of airflow about an aerospacecraft at various Mach numbers and angles of attack. In this display, Mach numbers increase from left to right and angles of attack increase from bottom to top. That is, all images in the same column represent simulations at the same Mach number, while all images in the same row represent simulations at the same angle of attack. The same viewing transformations and the same mapping from surface pressure to colors were used in generating all the images.
Gundo, Daniel↗
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture
Metal-organic frameworks (MOFs) exhibit great promise for CO 2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artificial intelligence (AI), high performance framework for the rational and accelerated design of MOFs with high CO 2 adsorption capacity and synthesizable linkers. GHP-MOFassemble generates novel linkers, assembled with one of three pre-selected metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer) into MOFs in a primitive cubic topology. GHP-MOFassemble screens and validates AI-generated MOFs for uniqueness, synthesizability, structural validity, uses molecular dynamics simulations to study their stability and chemical consistency, and crystal graph neural networks and Grand Canonical Monte Carlo simulations to quantify their CO 2 adsorption capacities. We present the top six AI-generated MOFs with CO 2 capacities greater than 2m mol g -1 , i.e., higher than 96.9% of structures in the hypothetical MOF dataset.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Analysis of Approximations in Modeling of BWR Bundle Void Distributions
In boiling water reactors, complex heterogeneous bundle designs, control blades adjacent to the corner of bundles, and the presence of boiling can lead to complex internal void distributions. A few approximations exist to model these void distributions. They could be modeled using a 1D axial solver in which each axial node is assumed to be at an average void, or each pin cell could be modeled with its own void concentration. In the latter case, the void could be discretized in pin-centered or coolant-centered channels. The goal of this project was to quantify the effect of using the different approximations for modeling internal void distributions on neutronics calculations. Using 3D void distributions calculated with CTF, Monte Carlo Neutral Particle (MCNP) transport code models were created for GE-9 and GE-14 lattices. For each model, the internal void distribution from CTF at a given axial node was selected, and a lattice calculation was carried out with MCNP. Comparisons between models using a lattice-averaged void, or using a void distribution in coolant-centered channels, showed large differences in reactivity which in some cases were well above 1,000 pcm, and it also showed differences in normalized fission rates greater than 20%. It was also found that using a lattice average void can lead to a significant difference in the estimation of the worth of a control blade. The differences found when comparing results from models using pin-centered and coolant-centered channels were up to 200 pcm in reactivity and up to 1.4% in the normalized fission rates. In addition to these two sets of comparisons, MCNP models were set up so that each subchannel had a saturated liquid component around the fuel pins and a saturated vapor component in the center to approximate annular flow. In comparison to the models using coolant-centered subchannels, up to 1–3% differences in normalized fission rates could be found.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Internal Mammary Chain Sentinel Nodes in Early-Stage Breast Cancer Patients: Toward Selective Removal
Background: Removal of internal mammary chain sentinel nodes (IMCSNs) affects prognosis and treatment of breast cancer, and internal mammary chain radiotherapy (IMCRT) can improve survival for selected patients. This study aimed to determine the effect of IMCSN biopsy on recurrence-free survival (RFS) and overall survival (OS) and to identify predictive factors for IMCSN and distant metastasis. Methods: Patients with IMCSNs were selected from a prospective database for the period 1999–2007. Lymphoscintigraphy was performed after intratumoral technetium-99 m injection, and all sentinel nodes were removed. Both RFS and OS were calculated for subgroups with tumor-positive, tumor-negative, or non-removed IMCSNs. Predictive factors were identified for tumor-positive IMCSNs and distant metastasis by regression analysis. Results: For 287 (85%) of 336 patients, IMCSN biopsy was performed, and metastasis was detected in 38 patients (13%). The patients with tumor-positive IMCSNs had poorer OS than the patients with no IMCSN metastasis or non-removed IMCSNs (p = 0.002). These patients also had worse RFS due to distant metastasis (p = 0.002). Axillary metastasis was predictive for tumor-positive IMCSNs (positive predictive value, 38.5%). The predictive factors for distant metastasis were tumor-positive IMCSNs (hazard ratio [HR], 2.5), non-removed IMCSNs (HR, 2.3), tumor diameter greater than 1.5 cm (HR, 3.5), and age older than 65 years (HR, 3.1; reference, < 50 years). Conclusions: Patients with IMCSNs have worse survival due to distant metastasis. The clinically relevant predictive factor for distant metastasis is tumor larger than 1.5 cm. According to the authors’ current protocol, IMCSN biopsy is performed for patients younger than 70 years who have a tumor larger than 1.5 cm, with the cardiotoxicity of the adjuvant IMCRT weighed against the survival benefit.
62 RADIOLOGY AND NUCLEAR MEDICINE↗