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At least 1,693 records · Page 94

From asymmetric to symmetric fission in the fermium isotopes within the time-dependent generator-coordinate-method formalism

Background: Predicting the properties of neutron-rich nuclei far from the valley of stability is one of the major challenges of modern nuclear theory. In heavy and superheavy nuclei, a difference of only a few neutrons is sufficient to change the dominant fission mode. A theoretical approach capable of predicting such rapid transitions for neutron-rich systems would be a valuable tool to better understand $r$-process nucleosynthesis or the decay of superheavy elements. Purpose: In this work, we investigate for the first time the transition from asymmetric to symmetric fission through the calculation of primary fission yields with the time-dependent generator coordinate method (TDGCM). We choose here the transition in neutron-rich fermium isotopes, which was the first to be observed experimentally in the late 1970s and is often used as a benchmark for theoretical studies. Methods: We compute the primary fission fragment mass and charge yields for 254 Fm, 256 Fm, and 258 Fm from the TDGCM under the Gaussian overlap approximation. The static part of the calculation (generation of a potential energy surface) consists of a series of constrained Hartree-Fock-Bogoliubov calculations based on the D1S, D1M, or D1N parametrization of the Gogny effective interaction in a two-center harmonic oscillator basis. The two-dimensional dynamics in the collective space spanned by the quadrupole and octupole moments ( $\hat{Q}_{20}$, $\hat{Q}_{30}$) is then computed with the finite element solver Felix-2.0. Results: The available experimental data and the TDGCM post-dictions are consistent and agree especially on the position in the fermium isotopic chain at which the transition occurs. In addition, the TDGCM predicts two distinct asymmetric modes for the fission of 254 Fm. Conclusions: Thanks to its intrinsic accounting of shell effects and to its ability to describe the dynamics of the system up to configurations close to scission, the TDGCM is able to describe qualitatively the fission yield transition in the neutron-rich fermium isotopes. This makes it a promising tool to study the evolution of the fission yields far from the valley of stability. The main limitation of the method lies in the presence of discontinuities in the two-dimensional manifold of generator states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Coordinate transformation methodology for simulating quasistatic elastoplastic solids

Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving periodic images to apply simple shear. Here, we examine the problem of precisely comparing this type of simulation to continuum solid mechanics. We employ a hypo-elastoplastic mechanical model, and develop a projection method to enforce quasi-static equilibrium. We introduce a simulation framework that uses a fixed Cartesian computational grid on a reference domain, and imposes deformation via a time-dependent coordinate transformation to the physical domain. As a test case for our method, we consider the evolution of shear bands in a bulk metallic glass using the shear transformation zone theory of amorphous plasticity. We examine the growth of shear bands in simple shear and pure shear conditions as a function of the initial preparation of the bulk metallic glass.

74 ATOMIC AND MOLECULAR PHYSICS↗

Structural Evolution of SiO 2 Glass with Si Coordination Number Greater than 6

Pair distribution function measurement of SiO 2 glass up to 120 GPa reveals changes in the first-, second-, and third-neighbor distances associated with an increase in Si coordination number C Si to >6 above 95 GPa. Here, packing fractions of Si and O determined from the first- and second-neighbor distances show marked changes accompanied with the structural evolution from C Si = 6 to >6. Structural constraints in terms of ionic radius ratio of Si and O, and ratio of nonbonded radius to bonded Si-O distance support the structural evolution of SiO 2 glass with C Si > 6 at high pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis

To extend materials design and discovery into the space of metastable polymorphs, rapid and reliable assessment of transformation kinetics to lower energy structures is essential. Herein we focus on diffusionless polymorphic transformations and investigate routes to assess their kinetics using solely crystallographic arguments. As part of this investigation we developed a general algorithm to map crystal structures onto each other, and ascertain the low-energy (fast-kinetics) transformation pathways between them. Pathways with minimal dissociation of chemical bonds, along which the number of bonds (in ionic systems the first-shell coordination) does not decrease below that in the end structures, are shown to always be the fast-kinetics pathways. These findings enable the rapid assessment of the kinetics of polymorphic transformation and the identification of long-lived metastable structures. In conclusion, the utility is demonstrated on a number of transformations including those between high-pressure SnO 2 phases, which lack a detailed atomic-level understanding.

36 MATERIALS SCIENCE↗

Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclodextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0 , which is available to download from https://12idb.xray.aps.anl.gov/solx.html.

Zuo, Xiaobing (ORCID:0000000201344804)↗

Insights on carbon dioxide adsorption in a flexible 1-D coordination polymer from in situ X-ray scattering and density functional theory

A combination of in situ small-angle X-ray scattering (SAXS) microstructure characterization over scales ranging from 1 nm to 10 µm and powder X-ray diffraction (XRD) structure characterization under various gas/pressure/temperature conditions with density functional theory (DFT) calculations provides new insights for the CO2 sorption behavior of a one-dimensional porous coordination polymer: catena-bis­(di­benzoyl­methanato)(4,4′-bi­pyridyl)­nickel(II), denoted NiDBM-Bpy. The NiDBM-Bpy chains are held together by van der Waals forces, but the structure of guest-free NiDBM-Bpy is unsolved due to a lack of suitable crystals and high-quality powder XRD patterns. Nevertheless, SAXS and powder XRD can follow microstructural and structural changes as a function of gas pressure, composition and temperature. Both mixed-gas flow and static supercritical CO2 regimes are explored experimentally. DFT calculations are used to model the structural variation associated with XRD changes and hysteresis in the sorption isotherms. XRD and DFT calculations suggest that an orthorhombic Fddd structure with two CO2 per Ni emerges following a transition from the structure with lower molar volume and symmetry that exists without CO2 present.

Allen, Andrew J.↗

Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination

A Schiff base derived from ethylenediamine and heptane-2,4,6-trione, namely, 5,9,14,18-tetramethyl-1,4,10,13-tetraazacyclooctadeca-5,8,14,17-tetraene-7,16- dione (C 18 H 28 N 4 O 2 ), abbreviated H 4 daaden, was prepared and characterized for the first time by single-crystal X-ray diffraction. The atoms of the Schiff base occupy two different planes and thus the molecule is essentially nonplanar. An axis running through the C–C atoms of the ethylenediamine groups separate the two planes and these two planes are connected by bridging ethylene groups showing an angle of 117.34 (8)°. As a result, the side view of the molecule shows a ‘step-stool’ conformation. The nonplanar nature of the Schiff base plays an important role in metal coordination, which leads to partial hydrolysis of the ring structure

crystal structure↗

Kensor: Coordinated Intelligence from Co-Located Sensors

Internet of Things (IoT) is becoming more pervasive in many installations, including homes, manufacturing plants, and industrial facilities of all kinds. The data that IoT produces is a reflection of usual behavior such as daily routines and scheduled tasks, but also from unexpected behavior due to unintentional or undesirable abnormalities. Here, we focus on achieving coordinated intelligence about normal and abnormal phenomena from multiple sensors that are geographically colocated in close proximity, monitoring and controlling a set of co-located devices. Given a set of co-located sensors, we seek an intelligent approach that would automatically determine the “normal” patterns of behaviors among the correlated sensors. After normal behavior is extracted, later monitoring should detect any deviant variations over time. An example application is an entry monitoring and alert system for facilities such as nuclear reactors, where badge readers, door locks, lights, weight trackers and other co-located sensors at the entry point are collectively tracked. To address this problem, we identify the possible solution approach that can be used to solve its different variants. The implemented model is developed as a combination of rules and Markov Chain methods.

Kotevska, Olivera↗

Hybrid insulation coordination and optimisation for 1 MV operation of pulsed electron accelerator KALI-30GW

In a multi-gigawatt pulsed power system like KALI-30 GW, insulation coordination is required to achieve high voltages ranging from 0.3 MV to 1 MV. At the same time optimisation of the insulation parameters is required to minimize the inductance of the system, so that nanoseconds output can be achieved. The KALI-30GW pulse power system utilizes a combination of Perspex, delrin, epoxy, transformer oil, nitrogen/SF{sub 6} gas and vacuum insulation at its various stages in compressing DC high voltage to a nanoseconds pulse. This paper describes the operation and performance of the system from 400 kV to 1030 kV output voltage pulse and insulation parameters utilized for obtaining peak 1 MV output. (author)

43 PARTICLE ACCELERATORS↗

Real-time Simulation of Coordinated Sub-Transmission Volt-Var Control Tool under High Distributed PV Penetration

With the rapid penetration of intermittent solar photovoltaic (PV) and other distributed energy resources (DER) into the grid, and subsequent changes in power flow patterns in both distribution and sub-transmission, voltage regulation is becoming a major challenge. It is prudent to leverage PV and DER to provide ancillary services to the grid, such as voltage regulation. Recently, a quasi-static, coordinated real-time sub transmission volt-var control algorithm (CReST-VCT) was developed for voltage regulation under high PV penetration by dispatching the reactive power settings of the shunt devices and PV inverters. The algorithm was validated offline, on a quasistatic study. Such quasi-static dispatching algorithms cannot guarantee its performance for highly nonlinear dynamical power systems. In this paper the performance of the algorithm is validated with a real time nonlinear dynamic simulation of a modified IEEE 118 bus system in Opal-RT. The real time simulation is used to emulate the actual system operation, providing a more realistic testing environment for CReST-VCT. The dispatch and control signals are communicated between the power system (Opal solver) and the control center (GAMS solver) in real-time with a MODBUS bridge. The results demonstrate i) system is stable with the new dispatch points ii) significant improvement in system-wide voltage profiles compared to an uncontrolled scenario. Another significant contribution of the work is developing a framework for dispatchable, long duration dynamic simulations that can be leveraged for market/dispatch studies.

CReST-VCT, Opal-RT, Volt/Var Control, renewable in↗

Coordinated Inverter Control to Increase Dynamic PV Hosting Capacity: A Real-Time Optimal Power Flow Approach

High penetrations of distributed photovoltaics (PV) could cause adverse grid impacts, such as voltage violations. The recent development in inverter technologies provides the opportunity to develop control systems to realize effective PV governance and thus to improve dynamic PV hosting capacity for distribution grids. In this paper, a novel distributed energy resource management system (DERMS) solution is proposed by adopting the real-time optimal power flow (OPF) approach for coordinated control of the distributed PV inverters. The proposed approach eliminates the dependence on load knowledge via measurement feedback correction, and it can be implemented in real time. One challenge is that the technique is sensitive to the data availability and integrity of voltage measurements. Therefore, a decentralized DERMS approach is developed by leveraging the concepts of state estimation. The framework and the effectiveness of the solution approach are numerically demonstrated on a real distribution feeder in Southern California.

14 SOLAR ENERGY↗

Coordinated Integration of Renewable Generation and Small Modular Reactors in Puerto Rico – an Initial Study

With a growing interest and awareness to support clean and sustainable sources of energy, several countries have ambitious plans to significantly increase the penetration of renewable energy in the grid. However, the sources of renewable energy, such as solar and wind, are highly intermittent and therefore can pose additional challenges to maintain reliable system operations; one such challenge being flexibility requirement. This paper addresses the concerns of increasing flexibility needs with high renewable penetration, and also study the coordinated integration of nuclear small modular reactor and inverter-based renewable generation sources in a system to achieve high levels of carbon-free and sustainable energy. In this paper, balancing reserve and short-term flexibility requirements were considered for the analysis purpose. Also, methodology was developed to calculate metrics for calculating short-term flexibility requirements in the time-scale of hours. Small modular reactors are considered as potential sources of generation flexibility to complement renewables.

Agrawal, Urmila↗

Coordination of Networked Microgrids for Supporting Voltages of Bulk Power Systems

Active distribution system resources have the potential to support the bulk power system (BPS) during abnormal conditions, increasing reliability and resilience of power systems and end-use customers. This paper investigates for the first time the BPS voltage support provided by networked microgrids at the feeder level. A peer-to-peer (P2P) communication control framework is introduced to enable the coordination of multiple microgrids in a mixed ownership environment. This allows the microgrids to run a consensus algorithm (CA) to distributedly determine their own reactive power injections. Thus, the reactive power injection contribution is realized in a fair manner by having the same ratio of reactive power injection to the reactive power headroom for all microgrids. The CA implementation and performance within the P2P network framework are demonstrated on the IEEE 39-bus testcase system with 10 microgrids part of the distribution feeder assumed to be connected to one of the BPS buses.

Vu, Thanh Long↗

Coordination of Energy Storage and Distributed Generation for Voltage Control and Peak-valley Filling

The increasing penetration of distributed energy resources (DERs) in distribution network (DN) poses challenges on voltage control. In addition, the growing integration of DERs also reshapes the traditional load profile. To comprehensively address the voltage control and peak-valley filling in DN, this paper proposes a model predictive control (MPC) based optimization framework. The proposed method can achieve coordinated voltage control and peak-valley filling by adjusting the reactive power output from distributed generations (DGs) and the charging/discharging of energy storage systems (ESS). The performance of the proposed method is demonstrated by simulations on a modified IEEE-123 bus system.

Zhang, Zhengfa [University of Tennessee, Knoxville↗

The Application of Coordination to Magnetic Measurement Automation: An SSW System Example

Magnetic measurements are an integral part of the development cycle of accelerator magnets, a part which provides necessary feedback to drive design and manufacturing improvements and corrections. Automation of these measurements allows for reduction of human errors and reproducibility of measurements. Realization of automation via coordination that is separated at the architectural level from the functional code provides flexibility in defining measurement procedures and substantial extensibility. The described Single Stretched Wire (SSW) system herein is an implementation of such a solution with the use of a component-based framework designed to build a family of measurement systems.

43 PARTICLE ACCELERATORS↗

Coordinated Control of Natural and Sub-Synchronous Oscillations via HVDC Links in Great Britain Power System

Conventional power oscillation damping (POD) controllers have been designed to be effective in damping either inter-area low-frequency oscillations (LFO) or sub-synchronous oscillations (SSO). For those POD controls, model-based control design method has been widely implemented with wide-area feedback signals from phasor measurement units (PMU). However, the model accuracy of a large realistic power system can hardly be guaranteed, which will finally impact the POD damping performance. In this paper, a measurement-based method is proposed for POD design using High Voltage Direct Current links (HVDC) to realize the coordinated control of both LFO and SSO. For each type of oscillations, a band-pass filter is added to avoid the interactions between different modes. Case studies are carried out on the Great Britain 36-bus power system model with multiple HVDC links in DIgSILENT/PowerFactory. Simulation results demonstrate that the proposed PODs are effective in damping inter-area LFO and SSO simultaneously.

Zhao, Yi↗

A Transactive Network Template for Decentralized Coordination of Electricity Provision and Value

Transactive energy systems facilitate and plan for an allocation of electricity based on distributed, value-based negotiations. They are currently extending the usage of market-based principles and transactions from wholesale electricity markets where they exist today downward into distribution systems. While many interesting transactive energy systems have been proposed, few fully decentralize price discovery and price-responsive control. Even fewer plan for extensibility that will be needed for the ultimate growth of transactive networks and for the inclusion of additional and new objectives and new flexible, responsive assets. This paper introduces a transactive network template from which an agent may be configured at its network node to negotiate for electricity with other neighboring network agents, manage a set of locally-owned supply and demand assets, and induce local power balance through price discovery. A set of base object classes defines the template and may be extended. Three important basic computational responsibilities are allocated among the base object classes—scheduling, balancing, and network coordination. These several basic classes and responsibilities may be used to represent the perspective of large and small devices and regions anywhere in the electric power grid because they are based on the self-similarity of these objects and responsibilities. Agents in a transactive network are not at all unique in these basic responsibilities. So far, these following dynamic values have been addressed by extension of the base classes: energy value, demand charges, transport losses, and impacts of distributed renewable resources. The template is designed to be further extended to address and monetize still other valuable objectives.

Transactive, Transactive network, Transactive netw↗

Distributed Coordination of Networked Microgrids for Voltage Support in Bulk Power Grids

The increasing deployment of distributed energy resources (DERs) and microgrids (MGs) in power distribution systems has enabled the adjustment of reactive power consumption as seen at the substation, which can be used to provide voltage support for the bulk power system (BPS). Leveraging this new capability will provide greater resiliency to the power system as a whole. Here, the goal of this paper is to develop and compare three different algorithms, namely distributed optimal power flow, distributed consensus algorithm, and fully decentralized collaborative autonomy for unbalanced distribution systems for microgrid coordination. These algorithms use networked MGs to support the BPS voltage when a contingency at the bulk grid results in abnormally low voltages, which may be a precursor to voltage collapse. Our comparative analysis includes both qualitative and quantitative assessments of the three algorithms and a discussion of the trade-offs between the decentralized and distributed methods in normal and disrupted conditions. Each algorithm was evaluated on the modified IEEE 13-bus system and a real power distribution system at Chattanooga, Tennessee, that encompasses more than 4500 buses. Each algorithms excels differently and may be suited for different scenarios depending on the condition, operations, and priorities of the power and communication systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗