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Hnx-widget is a Jupyter notebook widget for visualizing hyper graphs that is intended to work in conjunction with the HyperNetX open source package developed by PNNL. It renders hyper graphs using Euler diagrams (a Venn diagram is a special type of Euler diagram). The tool contains simple interactions that allow the user to select nodes and change their appearance. It scales to small to medium sized (100 node) hyper graphs
GlideinWMS is a pilot framework to provide uniform and reliable HTCondor clusters using heterogeneous and unreliable resources. The Glideins are pilot jobs that are sent to the selected nodes, test them, set them up as desired by the user jobs, and ultimately start an HTCondor schedd to join an elastic pool. These Glideins collect information that is very useful to evaluate the health and efficiency of the worker nodes and invaluable to troubleshoot when something goes wrong. This data, including local stats, the results of all the tests, and the HTCondor log files, is packed and sent to the GlideinWMS Factory. To access this information, developers and troubleshooters must exchange emails with Factory operators and dig manually into files. Furthermore, these files contain also information like email and IP addresses, and user IDs, that we want to protect and limit access to. GlideinMonitor is a Web application to make these logs more accessible and useful: it organizes the logs in an efficient compressed archive; it allows to search, unpack, and inspect them, all in a convenient and secure Web interface; via plugins like the log anonymizer, it can redact protected information preserving the parts useful for troubleshooting.
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Determining collective barrier operation skew in a parallel computer that includes a number of compute nodes organized into an operational group includes: for each of the nodes until each node has been selected as a delayed node: selecting one of the nodes as a delayed node; entering, by each node other than the delayed node, a collective barrier operation; entering, after a delay by the delayed node, the collective barrier operation; receiving an exit signal from a root of the collective barrier operation; and measuring, for the delayed node, a barrier completion time. The barrier operation skew is calculated by: identifying, from the compute nodes' barrier completion times, a maximum barrier completion time and a minimum barrier completion time and calculating the barrier operation skew as the difference of the maximum and the minimum barrier completion time.
Determining collective barrier operation skew in a parallel computer that includes a number of compute nodes organized into an operational group includes: for each of the nodes until each node has been selected as a delayed node: selecting one of the nodes as a delayed node; entering, by each node other than the delayed node, a collective barrier operation; entering, after a delay by the delayed node, the collective barrier operation; receiving an exit signal from a root of the collective barrier operation; and measuring, for the delayed node, a barrier completion time. The barrier operation skew is calculated by: identifying, from the compute nodes' barrier completion times, a maximum barrier completion time and a minimum barrier completion time and calculating the barrier operation skew as the difference of the maximum and the minimum barrier completion time.
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.
An open pored metal–organic framework (MOF) with oxygen selectivity at exceptionally high temperatures is confirmed by synthesis, sorption, and synchrotron structural analyses. The large-pore MIL-100 framework with access to the metal center (e.g., Sc and Fe) resulted in preferential O2 over N2 gas uptake at temperatures ranging from 77 K to ambient temperatures (258, 298, and 313 K). Most notably, Sc-MIL-100 shows exceptional O2 sorption; pair distribution function analyses indicate that this is due to distortions in the framework owing to the size of Sc atoms, in particular in the trimer metal cluster. Experimental studies also correlate very well with GCMC simulations, confirming more favorable O2-framework interactions at pressures up to 1 bar, due to the close proximity of O2 to the high density of metal centers in the small tetrahedral cages. Both materials maintain their crystallinity upon gas adsorption cycling, are regenerable, and show exceptional promise for use in energy efficient oxygen purification processes, such as Pressure Swing Adsorption.
Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results produced using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band's interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m × 2m × 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available.
Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results produced using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band s interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m x 2m x 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available.
We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes of computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.
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.
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.
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.
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.
Using a systematic symmetry and topology analysis, we establish that three-dimensional chiral superconductors with strong spin-orbit coupling and odd-parity pairing generically host low-energy nodal quasiparticles that are spin-nondegenerate and realize Majorana fermions in three dimensions. By examining all types of chiral Cooper pairs with total angular momentum J formed by Bloch electrons with angular momentum j in crystals, we obtain a comprehensive classification of gapless Majorana quasiparticles in terms of energy-momentum relation and location on the Fermi surface. We show that the existence of bulk Majorana fermions in the vicinity of spin-selective point nodes is rooted in the nonunitary nature of chiral pairing in spin-orbit–coupled superconductors. We address experimental signatures of Majorana fermions and find that the nuclear magnetic resonance spin relaxation rate is significantly suppressed for nuclear spins polarized along the nodal direction as a consequence of the spin-selective Majorana nature of nodal quasiparticles. Furthermore, Majorana nodes in the bulk have nontrivial topology and imply the presence of Majorana bound states on the surface, which form arcs in momentum space. We conclude by proposing the heavy fermion superconductor PrOs 4 Sb 12 and related materials as promising candidates for nonunitary chiral superconductors hosting three-dimensional Majorana fermions.
Techniques are disclosed for loading programs efficiently in a parallel computing system. In one embodiment, nodes of the parallel computing system receive a load description file which indicates, for each program of a multiple program multiple data (MPMD) job, nodes which are to load the program. The nodes determine, using collective operations, a total number of programs to load and a number of programs to load in parallel. The nodes further generate a class route for each program to be loaded in parallel, where the class route generated for a particular program includes only those nodes on which the program needs to be loaded. For each class route, a node is selected using a collective operation to be a load leader which accesses a file system to load the program associated with a class route and broadcasts the program via the class route to other nodes which require the program.
Techniques are disclosed for loading programs efficiently in a parallel computing system. In one embodiment, nodes of the parallel computing system receive a load description file which indicates, for each program of a multiple program multiple data (MPMD) job, nodes which are to load the program. The nodes determine, using collective operations, a total number of programs to load and a number of programs to load in parallel. The nodes further generate a class route for each program to be loaded in parallel, where the class route generated for a particular program includes only those nodes on which the program needs to be loaded. For each class route, a node is selected using a collective operation to be a load leader which accesses a file system to load the program associated with a class route and broadcasts the program via the class route to other nodes which require the program.