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At least 703 records · Page 39

COHORT: Coordination of Heterogeneous Thermostatically Controlled Loads for Demand Flexibility

Demand flexibility is increasingly important for power grids. Careful coordination of thermostatically controlled loads (TCLs) can modulate energy demand, decrease operating costs, and increase grid resiliency. We propose a novel distributed control framework for the Coordination Of HeterOgeneous Residential Thermostatically controlled loads (COHORT). COHORT is a practical, scalable, and versatile solution that coordinates a population of TCLs to jointly optimize a grid-level objective, while satisfying each TCL’s end-use requirements and operational constraints. To achieve that, we decompose the grid-scale problem into subproblems and coordi- nate their solutions to find the global optimum using the alternating direction method of multipliers (ADMM). The TCLs’ local problems are distributed to and computed in parallel at each TCL, making COHORT highly scalable and privacy-preserving. While each TCL poses combinatorial and non-convex constraints, we characterize these constraints as a convex set through relaxation, thereby making COHORT computationally viable over long planning horizons. After coordination, each TCL is responsible for its own control and tracks the agreed-upon power trajectory with its preferred strategy. In this work, we translate continuous power back to discrete on/off actuation, using pulse width modulation. COHORT is generalizable to a wide range of grid objectives, which we demonstrate through three distinct use cases: generation following, minimizing ramping, and peak load curtailment. In a notable experiment, we validated our approach through a hardware-in-the-loop simulation, including a real-world air conditioner (AC) controlled via a smart thermostat, and simulated instances of ACs modeled after real-world data traces. During the 15-day experimental period, COHORT reduced daily peak loads by an average of 12.5% and maintained comfortable temperatures.

demand response↗

Simplex-stochastic collocation method with improved scalability

The Simplex-Stochastic Collocation (SSC) method is a robust tool used to propagate uncertain input distributions through a computer code. However, it becomes prohibitively expensive for problems with dimensions higher than 5. The main purpose of this paper is to identify bottlenecks, and to improve upon this bad scalability. In order to do so, we propose an alternative interpolation stencil technique based upon the Set-Covering problem, and we integrate the SSC method in the High-Dimensional Model-Reduction framework. In addition, we address the issue of ill-conditioned sample matrices, and we present an analytical map to facilitate uniformly-distributed simplex sampling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Weak Production of Strange and Charmed Ground-State Baryons in Nuclei

We present results for the quasielastic weak production of Λ and Σ hyperons induced by ν¯ scattering off nuclei in the kinematical region of interest for accelerator neutrino experiments. We employ realistic hole spectral functions and we describe the propagation of the hyperons in the nuclear medium by means of a Monte Carlo cascade. The latter strongly modifies the kinematics and the relative production rates of the hyperons, leading to a nonvanishing Σ+ cross section, to a sizable enhancement of the Λ production and to a drastic reduction of the Σ0 and Σ− distributions. We also compute the quasielastic weak Λc production cross section, paying special attention to estimate the uncertainties induced by the model dependence of the vacuum n→Λc weak matrix element. In this regard, the recent BESIII measurements of the branching ratios of Λc→Λl+νl (l=e,μ) are used to benchmark the available theoretical predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Using Pilot Jobs and CernVM File System for Simplified Use of Containers and Software Distribution

High Energy Physics (HEP) experiments entail an abundance of computing resources, i.e. sites, to run simulations and analyses by processing data. This requirement is fulfilled by local batch farms, grid sites, private/commercial clouds, and supercomputing centers via High Throughput Computing (HTC). The growing needs of such experiments and resources being prone to trends of heterogeneity make it difficult for physicists to handle these resources directly. Additionally, HEP collaborations heavily rely on data and software releases, typically in the order of tens of gigabytes, while conducting simulations and analyses. Hence, aspects of scalability, reliability, and maintenance become crucial with regards to the distribution of the necessary data and software stack. The GlideinWMS [4] framework helps with the resource management problem by using pilot jobs, aka Glideins, to provision reliable elastic virtual clusters. Glideins are submitted to unreliable heterogeneous resources which are validated and customized by the Glideins to make the worker nodes available for end-user job execution. On the other hand, the CernVM File System (CernVM-FS or CVMFS) [1] helps with data distribution. It is a write-once, read-everywhere filesystem used to deploy scientific software to thousands of nodes on a worldwide distributed computing infrastructure. CVMFS is based on the Hyper Text Transfer Protocol and has been widely used within the particle physics community for (1) distributing experiment software and data such as calibrations, and (2) facilitating containerization by efficiently hosting container images along with providing containerization software, especially Singularity [3] GlideinWMS relies on CVMFS installed locally on the computing resources to satisfy the experiments' software needs. This requires system administrators' effort to install and maintain CVMFS at the sites and limits the use of sites, especially HPC resources, that do not have CVMFS installed. This poster presents a solution, taking advantage of Glideins to provide CVMFS at most sites without the need for a local installation. Doing so expands the pool of resources available for HEP experiments and reduces the effort of system administrators for current resources. Additionally, the proposed solution allows GlideinWMS to also start Singularity [3], a containerization software that can run unprivileged, on sites where neither CVMFS nor Singularity are available, including HPC sites. The benefits provided by this solution are: (1) lower overhead for site administrators in that they have less software to install, (2) an expanded pool of resources that run user jobs with easy access to software and data provided by CVMFS, thus making life easier for the scientists, and (3) improved flexibility to use HPC resources by enabling GlideinWMS pilot jobs to support HPC sites.

Urs, Namratha↗

Fundamental limitations of the local approximation for electron distribution function and fluid model in bounded plasmas

It is shown that the local approximation for computing the electron distribution function depends both on the ratio between the energy relaxation length and a characteristic plasma length and on the ratio between heating and ambipolar electric fields. In particular, the local approximation is not valid at the discharge periphery even at high pressure due to the fact that the ambipolar electric field practically always is larger than the heating electric field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Distributing User Code with the CernVM FileSystem

The CernVM FileSystem (CVMFS) is widely used in High Throughput Computing to efficiently distributed experiment code. However, the standard CVMFS publishing tools are designed for a small group of people from each experiment to maintain common software, and the tools are not a good fit for publishing software from numerous users in each experiment. As a result, most user code, such as code to do specific physics analyses, is still sent with every job to the place the job is run. That process is relatively inefficient, especially when the user code is large. To overcome these limitations, we have built a CVMFS user code publication system. This publication system enables users to still submit their code with their jobs but the code is distributed and accessed through the standard CVMFS infrastructure. The user code is automatically deleted from CVMFS after a period of no use. Most of the software for the system is available as a single self-contained open source rpm called cvmfs-user-pub and is available for other deployments.

97 MATHEMATICS AND COMPUTING↗

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants

Here, the novel metal chelator – N -2-pyridylmethyl-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-PyM – was designed to replace a single O-donor acetate group of the well-known aminopolycarboxylate complexant diethylenetriamine- N,N,N',N'',N'' -pentaacetic acid (DTPA) with an N-donor 2-pyridylmethyl. Potentiometric, spectroscopic, computational, and radioisotope distribution methods show distinct differences for the 4f and 5f coordination environments and enhanced actinide binding due to the nitrogen bearing heterocyclic moiety. The Am 3+ , Cm 3+ , Ln 3+ complexation studies for DTTA-PyM reveal an enhanced preference, relative to DTPA, for trivalent actinide binding. Fluorescence studies indicate no changes to the octadentate coordination of trivalent curium, while evidence of heptadentate complexation of trivalent europium is found in mixtures containing EuHL (aq) complexes at the same aqueous acidity. The denticity change observed for Eu 3+ suggests that complex protonation occurs on the pyridyl nitrogen. Formation of the CmHL(aq) complex is likely due to the protonation of an available carboxylate group since the carbonyl oxygen can maintain octadentate coordination through a rotation. The observed suppressed protonation of the pyridyl nitrogen in the Cm complexes may be attributed to stronger trivalent actinide binding by DTTA-PyM. Density functional theory calculations indicate that added stabilization of the actinide complexes with DTTA-PyM may originate from p back-bonding interactions between singly occupied 5 f orbitals of Am 3+ and the pyridyl nitrogen. The differences between the stability of trivalent actinide chelates (Am 3+ , Cm 3+ ) and trivalent lanthanide chelates (La 3+ -Lu 3+ ) are observed in liquid-liquid extraction systems, yielding unprecedented 4 f /5 f differentiation when using DTTA-PyM as an aqueous holdback reagent. In addition, the enhanced N -donor softness of the new DTTA-PyM chelator was perturbed by adding a fluorine onto the pyridine group. The comparative characterization of N -(3-fluoro-2-pyridylmethyl)-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-3-F-PyM, showed subdued 4 f /5 f differentiation due to the presence of this electron-withdrawing group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cyber-Infrastructure for Data-Intensive Geospatial Computing

With the recent advent of heterogeneous High-performance Computing (HPC) to handle EO “Big Data” workloads, there is a need for a unified Cyber-infrastructure (CI) platform that can bridge the best of many HPC worlds. In this chapter, we discuss such a CI platform being developed at Geographic Information Science and Technology (GIST) group using novel and innovative techniques, and emerging technologies that are scalable to large-scale supercomputers. The CI platform utilizes a wide variety of computing such as GPGPU, distributed, real-time and cluster computing, which are being brought together architecturally to enable data-driven analysis, scientific understanding of earth system models, and research collaboration. This development addresses the need for close integration of EO and other geospatial information in the face of growing volumes of the data, and facilitates spatio-temporal analysis of disparate and dynamic data streams. Horizontal scalability and linear throughput are supported in the heart of the platform itself. It is being used to support very broad application areas, ranging from high-resolution settlement mapping, national bioenergy infrastructure to urban information and mobility systems. The platform provides spatio-temporal decision support capabilities in planning, policy and operational missions for US federal agencies. Also, the platform is designed to be functionally and technologically sustainable for continued support of the US energy and environment mission for the coming decades.

Karthik, Rajasekar↗

Paradeisos: A perfect hashing algorithm for many-body eigenvalue problems

Here, we describe an essentially perfect hashing algorithm for calculating the position of an element in an ordered list, appropriate for the construction and manipulation of many-body Hamiltonian, sparse matrices. Each element of the list corresponds to an integer value whose binary representation reflects the occupation of single-particle basis states for each element in the many-body Hilbert space. The algorithm replaces conventional methods, such as binary search, for locating the elements of the ordered list, eliminating the need to store the integer representation for each element, without increasing the computational complexity. Combined with the “checkerboard” decomposition of the Hamiltonian matrix for distribution over parallel computing environments, this leads to a substantial savings in aggregate memory. While the algorithm can be applied broadly to many-body, correlated problems, we demonstrate its utility in reducing total memory consumption for a series of fermionic single-band Hubbard model calculations on small clusters with progressively larger Hilbert space dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗

A Testbed for Deploying Distributed State Estimation in Power Grid

Abstract—With the increasing demand, scale and data information of power systems, fast distributed applications are becoming more important in power system operation and control. This paper proposes a testbed for evaluating power system distributed applications, considering data exchange among distributed areas. A high-performance computing (HPC) version of distributed state estimation is implemented and used as a distributed application example. The IEEE 118-bus system is used to deploy the parallel distributed state estimation, and the MeDICi middleware is used for data communication. The performance of the testbed demonstrates its capability to evaluate parallel distributed state estimation by leveraging the HPC paradigm. This testbed can also be applied to evaluate other distributed applications.

distributed state estimation↗

Mapping the Concentration Distribution of Contaminant Plumes to the Computational Grid of the Plateau to River Model (Ver. 8.3)

This environmental calculation file (ECF) outlines the process conducted for defining the initial condition groundwater plumes for select contaminants of interest (COIs) to the Plateau River model version 8.3 (P2Rv8.3) domain (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3). Various data sources were combined into a single set of files defining plume conditions at time 1/1/2018. The resulting files are intended for use as inputs for transport modeling to support forecasts of the Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hybrid Technique in SCALE for Fission Source Convergence Applied to Used Nuclear Fuel Analysis

The new hybrid SOURCE ConveRgence accelERator (SOURCERER) sequence in SCALE deterministically computes a fission distribution and uses it as the starting source in a Monte Carlo eigenvalue criticality calculation. In addition to taking the guesswork out of defining an appropriate, problem-dependent starting source, the more accurate starting source provided by the deterministic calculation decreases the probability of producing inaccurate tally estimates associated with undersampling problems caused by inadequate source convergence. Furthermore, SOURCERER can increase the efficiency of the overall simulation by decreasing the number of cycles that has to be skipped before the keff accumulation. SOURCERER was applied to a representative example for a used nuclear fuel cask utilized at the Maine Yankee storage site {Scaglione and Ilas}. Because of the time constraints of the Used Fuel Research, Development, and Demonstration project, it was found that using more than 30,000 neutrons per cycle will lead to inaccurate Monte Carlo calculation of keff due to the inevitable decrease in the number of skipped and active cycles used with this problem. For a fixed uncertainty objective and by using 30,000 neutron per cycle, the use of SOURCERER increased the efficiency of the keff calculation by 60%compared to a Monte Carlo calculation that used a starting source distributed uniformly in fissionable regions, even with the inclusion of the extra computational time required by the deterministic calculation. Additionally, the use of SOURCERER increased the reliability of keff calculation using any number of skipped cycles below 350.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Scaling of observable properties in rotating stars

The spectral energy distribution as a function of inclination is computed using two-dimensional rotating stellar models and NLTE plane parallel stellar atmospheres. These models cover the range from 1.875 M {sub ☉} to 3.0 M {sub ☉}. The deduced effective temperature is determined by B – V computed from the spectral energy distribution, and the deduced luminosity is computed as the integral of the spectral energy distribution over all frequencies, assuming the distance and reddening are known. These deduced quantities are obtained from the observed spectral energy distribution assuming the objects are spherically symmetric, and thus the results are dependent on the inclination. Previous work has shown that the surface properties between two rotating stellar models with the same surface shape scale, and this is also true for the deduced effective temperature and luminosity over this limited mass range.

79 ASTRONOMY AND ASTROPHYSICS↗

GentenMPI: Distributed Memory Sparse Tensor Decomposition

GentenMPl is a toolkit of sparse canonical polyadic (CP) tensor decomposition algorithms that is designed to run effectively on distributed-memory high-performance computers. Its use of distributed-memory parallelism enables it to efficiently decompose tensors that are too large for a single compute node's memory. GentenMPl leverages Sandia's decades-long investment in the Trilinos solver framework for much of its parallel-computation capability. Trilinos contains numerical algorithms and linear algebra classes that have been optimized for parallel simulation of complex physical phenomena. This work applies these tools to the data science problem of sparse tensor decomposition. In this report, we describe the use of Trilinos in GentenMPl, extensions needed for sparse tensor decomposition, and implementations of the CP-ALS (CP via alternating least squares) and GCP-SGD (generalized CP via stochastic gradient descent) sparse tensor decomposition algorithms. We show that GentenMPl can decompose sparse tensors of extreme size, e.g., a 12.6-terabyte tensor on 8192 computer cores. We demonstrate that the Trilinos backbone provides good strong and weak scaling of the tensor decomposition algorithms.

97 MATHEMATICS AND COMPUTING↗

SU-E-T-213: Initial Experience with VMAT Plan and Delivery Verification Using a DICOM-RT Framework and Linac Delivery Log Files

Purpose: Mobius3D/MobiusFX (M3D/MFX), a commercial DICOM-RT based plan and delivery verification system, was used to compare calculated and delivered volumetric modulated arc therapy (VMAT) dose distributions using TrueBeam delivery log files (TrajectoryLogs). Methods: M3D/MFX utilizes measured linac commissioning data to generate institution specific beam models for evaluating planned and delivered dose distributions. 30 RapidArc prostate plans and 30 head and neck SmartArc plans were used in this study. For every plan, CT images, contoured structure sets, RT-plan, and RT-dose files were exported to M3D, which recalculated the patients’ planning CT dose distributions using a collapsed-cone-convolutionsuperposition algorithm. MFX utilized the acquired TrajectoryLogs to compute patients’ delivered dose distributions based on actual treatment delivery parameters. The agreement between computed and delivered dose distributions was evaluated utilizing a (3%, 3mm) global 3D-gamma analysis and dose-volume histogram changes for targets and organs at risk. Results: Excellent 3D-gamma agreements were observed for all VMAT plans. On average, for computed and delivered RapidArc and SmartArc plans the gamma passing rates were (99.0%±1.4%) and (96.8%±1.8%), respectively. The average difference for primary target prescription dose percent-coverage between calculated and delivered plans was (− 0.09%±2.52%) for RapidArc and (−2.71%±4.62%) for SmartArc cases. Similarly, the planning target mean dose differences were (1.38%±0.96%) for RapidArc and (1.17%±0.72%) for SmartArc plans. For the prostate plans, the calculated and delivered variations of the maximum dose for a 2cc volume for bladder and rectum were (1.32%±1.26%) and (0.65%±1.44%), respectively. The spinal-cord 2cc maximum dose differences of (3.26%±1.68%) were observed for the SmartArc plans. Conclusions: Clinical quality assurance practice based on linac treatment log files for verification of delivered 3D dose distributions in the patients’ geometries represents a paradigm shift from dose measurements in a phantom. This approach captures treatment planning beam modeling differences as well as the linac uncertainties during treatment delivery of the plan.

60 APPLIED LIFE SCIENCES↗