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DOE OSTI2026

Consumer safety-oriented scheduling of rotating power outages during heat waves

Extreme heat events have widespread effects on power systems, reducing available generation capacity, limiting transmission capabilities, and causing unusual demand patterns on the consumer side. As these combined effects expose bulk transmission systems to potential large-scale blackouts, utilities may be required to schedule and apply rotating outages, by temporarily and alternately disconnecting distribution substations to reduce overload. However, utilities lack mechanisms to inform these events, exacerbating the negative effects of heat waves on affected communities. This paper introduces a novel framework for scheduling rotating outages during heat waves while considering impacts on consumers’ safety. Instead of random sequential load shedding, we propose a methodology to rotate power outages considering a metric that quantifies the indoor overheating risk of groups of consumers during a power outage. The overheating risk is derived from a detailed building simulation using CityBES, where the buildings are modeled based on available data—use type, year built, floor area, number of stories, location—while presence of air conditioning and occupancy are calibrated from smart meter data. Based on the metric, an algorithm to schedule the rotating outages is applied to prioritize feeders for disconnection at each hour according to their overheating risk to meet a utility load reduction target. Applied to two substations and seven feeders in the Portland General Electric territory, the results show that this approach effectively leads to the lowest overheating risk during the resulting outage schedules, with an average 10.1% lower overheating compared to uninformed schedules.

Building thermal simulation↗

DOE OSTI2015

Monte Carlo simulation of the Neutrino-4 experiment

Monte Carlo simulation of the two-section reactor antineutrino detector of the Neutrino-4 experiment is carried out. The scintillation-type detector is based on the inverse beta-decay reaction. The antineutrino is recorded by two successive signals from the positron and the neutron. The simulation of the detector sections and the active shielding is performed. As a result of the simulation, the distributions of photomultiplier signals from the positron and the neutron are obtained. The efficiency of the detector depending on the signal recording thresholds is calculated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2018

Distribution Feeder Modeling for Time-Series Simulation of Voltage Management Strategies

This paper presents techniques to create baseline distribution models using a utility feeder from Hawai'ian Electric Company. It describes the software-to-software conversion, steady-state and time-series validations of a utility feeder model. It also presents a methodology to add secondary low-voltage circuit models to accurately capture the voltage at the customer meter level. This enables preparing models to perform studies that simulate how customer-sited resources integrate into legacy utility distribution system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Spitzer Microlensing Parallax for OGLE-2016-BLG-1067: A Sub-Jupiter Orbiting an M Dwarf in the Disk

We report the discovery of a sub-Jupiter-mass planet orbiting beyond the snow line of an M dwarf most likely in the Galactic disk as part of the joint Spitzer and ground-based monitoring of planetary microlensing anomalies toward the Galactic bulge. Most of the microlensing parameters are strongly constrained by the light-curve modeling, and in particular there is a Spitzer-based measurement of the microlens parallax, π {sub E}. However, there are no caustic crossings, so the angular Einstein radius has only an upper limit based on the light-curve modeling alone. Additionally, the analysis leads us to identify eight degenerate configurations: the fourfold microlensing parallax degeneracy being doubled by a degeneracy in the caustic structure present at the level of the ground-based solutions. To calculate the physical parameters, and at the same time to break the parallax degeneracy, we make use of a series of arguments: the χ {sup 2} hierarchy, the Rich argument (stating that the small-parallax solution is more likely), and a prior Galactic model. The preferred configuration, favored by a likelihood ratio of at least 4000, is for a host at D{sub L}=3.73{sub −0.67}{sup +0.66} kpc with mass M{sub L}=0.30{sub −0.12}{sup +0.15} M{sub ⊙}, orbited by a Saturn-like planet with M{sub planet} =0.43{sub −0.17}{sup +0.21} M{sub Jup} at projected separation a{sub ⊥}=1.70{sub −0.39}{sup +0.38} au, about 2.1 times beyond the system snow line. Therefore, it adds to the growing population of sub-Jupiter planets orbiting beyond the snow line of M dwarfs discovered by microlensing. Based on the rules of the real-time protocol for the selection of events to be followed up with Spitzer, this planet will not enter the sample for measuring the Galactic distribution of planets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

Microscopic description of proton scattering at 295 MeV from Pb isotopes

Microscopic analysis of the recently reported 295-MeV-proton scattering data from Pb isotopes and {sup 58}Ni is presented within the framework of the Brueckner-Hartree-Fock theory. The effective interaction (g matrix) has been calculated using three Hamiltonians with Urbana v-14, Argonne v-18, and Ried93 internucleon potentials. The microscopic optical potential is calculated by folding the effective interactions over nucleon density distributions obtained in the relativistic mean field framework. The Argonne v-18 and Ried93 interactions have been used for the first time to calculate the nucleon-nucleus optical potential. The calculations reproduce the experiment well thus revalidating the use of microscopic optical potential in such analyses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2011

SELF-SIMILAR DYNAMICAL RELAXATION OF DARK MATTER HALOS IN AN EXPANDING UNIVERSE

We investigate the structure of cold dark matter halos using advanced models of spherical collapse and accretion in an expanding universe. These are based on solving time-dependent equations for the moments of the phase-space distribution function in the fluid approximation; our approach includes non-radial random motions and, most importantly, an advanced treatment of both dynamical relaxation effects that take place in the infalling matter: phase-mixing associated with shell crossing and collective collisions related to physical clumpiness. We find self-similar solutions for the spherically averaged profiles of mass density {rho}(r), pseudo phase-space density Q(r), and anisotropy parameter {beta}(r). These profiles agree with the outcomes of state-of-the-art N-body simulations in the radial range currently probed by the latter; at smaller radii, we provide specific predictions. In the perspective provided by our self-similar solutions, we link the halo structure to its two-stage growth history and propose the following picture. During the early fast collapse of the inner region dominated by a few merging clumps, efficient dynamical relaxation plays a key role in producing closely universal mass density and pseudo phase-space density profiles; in particular, these are found to depend only weakly on the detailed shape of the initial perturbation and the related collapse times. The subsequent inside-out growth of the outer regions feeds on the slow accretion of many small clumps and diffuse matter; thus the outskirts are only mildly affected by dynamical relaxation but are more sensitive to asymmetries and cosmological variance.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

ParFlow Sand Tank: A tool for groundwater exploration

The ParFlow Sand Tank model is an open source application designed to allow users to interactively simulate and visualize groundwater movement through the subsurface. The app is designed for both research and education; teaching hydrogeology concepts and making it easy explore and run sophisticated groundwater simulations. Our goal is to support increased accessibility and usability of research grade hydrology tools for research and teaching. The Sand Tank application simulates groundwater and surface water fluxes as well as contaminant transport in real time using the integrated physical hydrology model ParFlow (Kollet & Maxwell, 2006; Maxwell & Miller, 2005; Osei-Kuffuor et al., 2014) and the particle tracking code EcoSlim (Maxwell et al., 2019). ParFlow is a numerical hydrology model that simulates spatially distributed groundwater and surface water flow. It is a well established research tool with more than 90 publications documenting its development use to advance our understanding of groundwater dynamics and groundwater surface water interactions from the hillslope to the continental scale e.g. (Condon et al., 2020; Condon & Maxwell, 2019; Maxwell & Condon, 2016). It is designed for efficient parallel computation and has been run on many platforms spanning from laptops to supercomputers. However, one of the challenges of ParFlow is that it requires significant training and hydrologic expertise to develop simulations. The Sand Tank application makes this model accessible to anyone for education and exploration. Our application uses ParFlow for its simulation backend and ParaView for the data loading and processing. The communication infrastructure relies on the ParaViewWeb framework. We use model templates deployed in Docker images to setup the Sand Tank framework. Users can build the application locally or interact with it through our web deployment. When interacting with a template users can interactively change model parameters like subsurface processes or pump/inject water into the subsurface and watch the system respond to their changes in real time as the simulation runs. Additionally, our template setup will allow more advanced users to build custom templates of increasing complexity for both research and educational purposes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

DENSITY FLUCTUATIONS AND THE ACCELERATION OF ELECTRONS BY BEAM-GENERATED LANGMUIR WAVES IN THE SOLAR CORONA

Non-thermal electron populations are observed throughout the heliosphere. The relaxation of an electron beam is known to produce Langmuir waves which, in turn, may substantially modify the electron distribution function. As the Langmuir waves are refracted by background density gradients and as the solar and heliospheric plasma density is naturally perturbed with various levels of inhomogeneity, the interaction of Langmuir waves with non-thermal electrons in inhomogeneous plasmas is an important topic. We investigate the role played by ambient density fluctuations on the beam-plasma relaxation, focusing on the effect of acceleration of beam electrons. The scattering of Langmuir waves off turbulent density fluctuations is modeled as a wavenumber diffusion process which is implemented in numerical simulations of the one-dimensional quasilinear kinetic equations describing the beam relaxation. The results show that a substantial number of beam electrons are accelerated when the diffusive timescale in wavenumber space {tau}{sub D} is of the order of the quasilinear timescale {tau}{sub ql}, while when {tau}{sub D} << {tau}{sub ql}, the beam relaxation is suppressed. Plasma inhomogeneities are therefore an important means of energy redistribution for waves and hence electrons, and so must be taken into account when interpreting, for example, hard X-ray or Type III emission from flare-accelerated electrons.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2010

Spectroscopic Observation of the Stardust Re-Entry in the Near UV with SLIT: Deduction of Surface Temperatures and Plasma Radiation

Thermal radiation of the heat-shield and the emission of the post-shock layer around the Stardust capsule, during its re-entry, were detected by a NASA-led observation campaign aboard NASA's DC-8 airborne observatory involving teams from several nations. The German SLIT experiment used a conventional spectrometer, in a Czerny-Turner configuration (300 mm focal length and a 600 lines/mm grating), fed by fiber optics, to cover a wavelength range from 324 nm to 456 nm with a pixel resolution of 0.08 nm. The reentering spacecraft was tracked m uansuinaglly a camera with a view angle of 20 degrees, and light from the capsule was collected using a small mirror telescope with a view angle of only 0.45 degrees. Data were gathered with a measurement frequency of 5 Hz in a 30-second time interval around the point of maximum heating until the capsule left the field of view. The emission of CN (as a major ablation product), N2(+) and different atoms were monitored successfully during that time. Due to the nature of the experimental set up, spatial resolution of the radiation field was not possible. Therefore, all measured values represent an integration of radiation from the visible part of the glowing heat shield, and from the plasma in the post-shock region. Further, due to challenges in tracking not every spectrum gathered contained data. The measured spectra can be split up into two parts: (i) continuum spectra which represent a superposition of the heat shield radiation and the continuum radiation of potential dust particles in the plasma, and (ii) line spectra from the plasma in the shock layer. Planck temperatures (interpreted as the surface temperatures of the Stardust heat shield) were determined assuming either a constant surface temperature, or a temperature distribution deduced from numerical simulation. The constant surface temperatures are in good agreement with numerical simulations, but the peak values at the stagnation point are significantly lower than those in the numerical simulation if a temperature distribution over the surface is assumed. Emission bands of CN and N2(+) were tracked along the visible trajectory and compared to a spectral simulation with satisfying agreement. Values for the integrated radiation of the transitions of interest for these species were extracted from this comparison.

Winter, Michael W.↗

DOE OSTI2018

On Collisions Times of ‘Self-Sorting’ Interacting Particles in One-Dimension with Random Initial Positions and Velocities

We investigate a one-dimensional system of N particles, initially distributed with random positions and velocities, interacting through binary collisions. The collision rule is such that there is a time after which the N particles do not interact and become sorted according to their velocities. When the collisions are elastic, we derive asymptotic distributions for the final collision time of a single particle and the final collision time of the system as the number of particles approaches infinity, under different assumptions for the initial distributions of the particles’ positions and velocities. For comparison, a numerical investigation is carried out to determine how a non-elastic collision rule, which conserves neither momentum nor energy, affects the median collision time of a particle and the median final collision time of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Numerical solution of 2D wet steam flow with non-equilibrium condensation and real thermodynamics

An approach to modeling of wet steam flow with non-equilibrium condensation phenomenon is presented. The first part of our flow model is homogeneous Euler system of transport equations for mass, momentum and total energy of wet steam (mixture). The additional second part describes liquid phase via non-homogeneous system of transport equations for moments of droplets number distribution function and relies on corrected classical nucleation theory. Moment equations are closed by linearization of droplet growth rate model. All necessary relations for thermodynamic properties of steam are provided by IAPWS set of equations. However, properties of condensate are simply modeled by liquid saturation data. Two real equations of state are implemented. Recently developed CFD formulation for entropy (does not require iteration process) and so-called IAPWS special gas equation for Helmholtz energy (one iteration loop is necessary). Flow model is validated on converging-diverging supersonic nozzle with Barschdorff geometry. Simulations were performed by in-house CFD code based on finite volume method and stiff character of equations was solved by symmetrical time operator splitting. Achieved results satisfactorily agreed with experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Molecular structure of vapor-deposited amorphous selenium

The structure of amorphous selenium is clouded with much uncertainty and contradictory results regarding the dominance of polymeric chains versus monomer rings. The analysis of the diffraction radial distribution functions are inconclusive because of the similarities between the crystalline allotropes of selenium in terms of the coordination number, bond length, bond angle, and dihedral angle. Here, we took a much different approach and probed the molecular symmetry of the thermodynamically unstable amorphous state via analysis of structural phase transformations. We verified the structure of the converted metastable and stable crystalline structures using scanning transmission electron microscopy. In addition, given that no experimental technique can tell us the exact three-dimensional atomic arrangements in glassy semiconductors, we performed molecular-dynamic simulations using a well-established empirical three-body interatomic potential. In this work, we developed a true vapor-deposited process for the deposition of selenium molecules onto a substrate using empirical molecular vapor compositions and densities. We prepared both vapor-deposited and melt-quenched samples and showed that the simulated radial distribution functions match very well to experiment. The combination of our experimental and molecular-dynamic analyses shows that the structures of vapor- and melt-quenched glassy/amorphous selenium are quite different, based primarily on rings and chains, respectively, reflecting the predominant structure of the parent phase in its thermodynamic equilibrium.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Grid Modeling and Hosting Capacity Analysis

An interface with the OpenDSS distribution grid simulator, facilitating users in calibrating and validating models. Additionally, three distinct tools have been developed: PV Hosting Capacity: This tool allows users to determine the additional amount of photovoltaic (PV) generation that can be integrated into the system without breaching operational constraints. EV Hosting Capacity: This tool focuses on identifying the capacity for incorporating extra electric vehicle (EV) load into the system without surpassing operational limitations. Project Impact Analysis Tool: This tool is designed to assess and report all potential grid violations associated with a specific project, providing valuable insights into its impact on the distribution grid.

Poudel, Shiva↗

DOE OSTI2017

GenASiSBasics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 2)

GenASiSBasics provides Fortran 2003 classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Finally, this revision–Version 2 of Basics–makes mostly minor additions to functionality and includes some simplifying name changes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Short- and medium-range order in Sb–Se glasses

Neutron diffraction measurements were performed to investigate the structure of Sb{sub x}Se{sub 100−x} bulk glasses with x=5, 10, 15, 20 and 25 at% Sb. The total pair distribution functions show two peaks at 2.36 Å and 2.64 Å, which are attributed to Se–Se and Sb–Se bonds, respectively. The coordination numbers calculated from these peaks indicate that Sb atoms are three-coordinated and Se atoms are two-coordinated for all the above compositions. However, the composition dependences of the first two peaks in the structure factors show an obvious change between 15 and 20 at% Sb, indicating that the medium-range structure is changed in this range of Sb content. In order to elucidate the medium-range structure, reverse Monte Carlo simulation was used with coordination number constraints. The structure models consisting of a mixture of the SbSe{sub 3/2} network and Se{sub n} chain clusters were in good agreement with neutron diffraction data for Se-rich glass (5, 10 and 15 at% Sb). On the other hand, a better fit was obtained for Sb{sub 25}Se{sub 75} glass with a model based on the network structure formed by connected SbSe{sub 3} units. - Graphical abstract: A 50 Å slice of the RMC configuration for Sb{sub 15}Se{sub 85} glass. - Highlights: • Sb atoms are three-coordinated and Se atoms are two-coordinated. • The medium-range structure changes between 15 and 20 at%. • The phase-separation tendency is observed in Se-rich glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Ground Heat Flux Reconstruction Using Bayesian Uncertainty Quantification Machinery and Surrogate Modeling

Ground heat flux (G 0 ) is a key component of the land-surface energy balance of high-latitude regions. Despite its crucial role in controlling permafrost degradation due to global warming, G 0 is sparsely measured and not well represented in the outputs of global scale model simulation. In this study, an analytical heat transfer model is tested to reconstruct G 0 across seasons using soil temperature series from field measurements, Global Climate Model, and climate reanalysis outputs. The probability density functions of ground heat flux and of model parameters are inferred using available G 0 data (measured or modeled) for snow-free period as a reference. When observed G 0 is not available, a numerical model is applied using estimates of surface heat flux (dependent on parameters) as the top boundary condition. These estimates (and thus the corresponding parameters) are verified by comparing the distributions of simulated and measured soil temperature at several depths. Aided by state-of-the-art uncertainty quantification methods, the developed G 0 reconstruction approach provides novel means for assessing the probabilistic structure of the ground heat flux for regional permafrost change studies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

One-Dimensional Fluids with Second Nearest–Neighbor Interactions

As is well known, one-dimensional systems with interactions restricted to first nearest neighbors admit a full analytically exact statistical-mechanical solution. This is essentially due to the fact that the knowledge of the first nearest–neighbor probability distribution function, p{sub 1}(r), is enough to determine the structural and thermodynamic properties of the system. On the other hand, if the interaction between second nearest–neighbor particles is turned on, the analytically exact solution is lost. Not only the knowledge of p{sub 1}(r) is not sufficient anymore, but even its determination becomes a complex many-body problem. In this work we systematically explore different approximate solutions for one-dimensional second nearest–neighbor fluid models. We apply those approximations to the square-well and the attractive two-step pair potentials and compare them with Monte Carlo simulations, finding an excellent agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Study of the structure and chemical bonding of crystalline Ge{sub 4}Sb{sub 2}Te{sub 7} using first principle calculations

The atomic arrangements and chemical bonding of stable Ge{sub 4}Sb{sub 2}Te{sub 7} (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗