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At least 1,711 records · Page 95

Structure Factors for Hot Neutron Matter from Ab Initio Lattice Simulations with High-Fidelity Chiral Interactions

We present the first ab initio lattice calculations of spin and density correlations in hot neutron matter using high-fidelity interactions at next-to-next-to-next-to-leading order in chiral effective field theory. These correlations have a large impact on neutrino heating and shock revival in core-collapse supernovae and are encapsulated in functions called structure factors. Unfortunately, calculations of structure factors using high-fidelity chiral interactions were well out of reach using existing computational methods. In this Letter, we solve the problem using a computational approach called the rank-one operator (RO) method. The RO method is a general technique with broad applications to simulations of fermionic many-body systems. It solves the problem of exponential scaling of computational effort when using perturbation theory for higher-body operators and higher-order corrections. Using the RO method, we compute the vector and axial static structure factors for hot neutron matter as a function of temperature and density. Here, the ab initio lattice results are in good agreement with virial expansion calculations at low densities but are more reliable at higher densities. Random phase approximation codes used to estimate neutrino opacity in core-collapse supernovae simulations can now be calibrated with ab initio lattice calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Heat Pipe Reactor Dynamic Response Tests: SAFE-100 Reactor Core Prototype

The SAFE-I00a test article at the NASA Marshall Space Flight Center was used to simulate a variety of potential reactor transients; the SAFEl00a is a resistively heated, stainless-steel heat-pipe (HP)-reactor core segment, coupled to a gas-flow heat exchanger (HX). For these transients the core power was controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. This type of non-nuclear test is expected to provide reasonable approximation of reactor transient behavior because reactivity feedback is very simple in a compact fast reactor (simple, negative, and relatively monotonic temperature feedback, caused mostly by thermal expansion) and calculations show there are no significant reactivity effects associated with fluid in the HP (the worth of the entire inventory of Na in the core is .<el, so fluid movement and temperature changes will cause very minor effects). In previous SAFE-100 tests, the point kinetics model was based on core thermal expansion via deflection measurements. It was found that core deflection was a strung function of how the SAFE-100 modules were fabricated and assembled (in terms of straightness, gaps, and other tolerances). To remove the added variable of how this particular core expands as compared to a different concept, it was decided to use a temperature based feedback model (based on several thermocouples placed throughout the core).

Bragg-Sitton, Shannon M.↗

Did Jupiter's Core Form in the Innermost Parts of the Sun's Protoplanetary Disc?

Jupiter’s core is generally assumed to have formed beyond the snow line. Here we consider an alternative scenario, that Jupiter’s core may have accumulated in the innermost parts of the protoplanetary disk. A growing body of research suggests that small particles (“pebbles”) continually drift inward through the disk. If a fraction of drifting pebbles is trapped at the inner edge of the disk a several Earth-mass core can quickly grow. Subsequently, the core may migrate outward beyond the snow line via planet-disk interactions. Of course, to reach the outer Solar System Jupiter’s core must traverse the terrestrial planet-forming region. We use N-body simulations including synthetic forces from an underlying gaseous disk to study how the outward migration of Jupiter’s core sculpts the terrestrial zone. If the outward migration is fast (τ(sub mig) ∼ 10(exp 4) years), the core simply migrates past resident planetesimals and planetary embryos. However, if its migration is slower (τ(sub mig) ∼ 10(exp 5) years) the core removes solids from the inner disk by shepherding objects in mean motion resonances. In many cases the disk interior to 0.5-1 AU is cleared of embryos and most planetesimals. By generating a mass deficit close to the Sun, the outward migration of Jupiter’s core may thus explain the absence of terrestrial planets closer than Mercury. Jupiter’s migrating core often stimulates the growth of another large (∼ Earth-mass) core – that may provide a seed for Saturn’s core – trapped in exterior resonance. The migrating core also may transport a fraction of terrestrial planetesimals, such as the putative parent bodies of iron meteorites, to the asteroid belt.

Protoplanetary disks↗

Ultrafast electron kinetics in short pulse laser-driven dense hydrogen

Dense cryogenic hydrogen is heated by intense femtosecond infrared laser pulses at intensities of ${10}^{15}-{10}^{16}\;$ W cm–2. Three-dimensional particle-in-cell (PIC) simulations predict that this heating is limited to the skin depth, causing an inhomogeneously heated outer shell with a cold core and two prominent temperatures of about $25$ and $40\;\mathrm{eV}$ for simulated delay times up to $+70\;\mathrm{fs}$ after the laser pulse maximum. Experimentally, the time-integrated emitted bremsstrahlung in the spectral range of 8–18 nm was corrected for the wavelength-dependent instrument efficiency. The resulting spectrum cannot be fit with a single temperature bremsstrahlung model, and the best fit is obtained using two temperatures of about 13 and $30\;$eV. The lower temperatures in the experiment can be explained by missing energy-loss channels in the simulations, as well as the inclusion of hot, non-Maxwellian electrons in the temperature calculation. In conclusion, we resolved the time-scale for laser-heating of hydrogen, and PIC results for laser–matter interaction were successfully tested against the experiment data.

42 ENGINEERING↗

Basker: Parallel sparse LU factorization utilizing hierarchical parallelism and data layouts

Transient simulation in circuit simulation tools, such as SPICE and Xyce, depend on scalable and robust sparse LU factorizations for efficient numerical simulation of circuits and power grids. As the need for simulations of very large circuits grow, the prevalence of multicore architectures enable us to use shared memory parallel algorithms for such simulations. A parallel factorization is a critical component of such shared memory parallel simulations. We develop a parallel sparse factorization algorithm that can solve problems from circuit simulations efficiently, and map well to architectural features. This new factorization algorithm exposes hierarchical parallelism to accommodate irregular structure that arise in our target problems. It also uses a hierarchical two-dimensional data layout which reduces synchronization costs and maps to memory hierarchy found in multicore processors. We present an OpenMP based implementation of the parallel algorithm in a new multithreaded solver called Basker in the Trilinos framework. Here, we present performance evaluations of Basker on the Intel SandyBridge and Xeon Phi platforms using circuit and power grid matrices taken from the University of Florida sparse matrix collection and from Xyce circuit simulation. Basker achieves a geometric mean speedup of 5.91× on CPU (16 cores) and 7.4× on Xeon Phi (32 cores) relative to state-of-the-art solver KLU. Basker outperforms Intel MKL Pardiso solver (PMKL) by as much as 30× on CPU (16 cores) and 7.5× on Xeon Phi (32 cores) for low fill-in circuit matrices. Furthermore, Basker provides 5.4× speedup on a challenging matrix sequence taken from an actual Xyce simulation.

97 MATHEMATICS AND COMPUTING↗

DISCOVERY OF A BINARY SYSTEM IN IRAM 04191+1522

We present high angular resolution observations of the Class 0 protostar IRAM 04191+1522 using the Submillimeter Array (SMA). The SMA 1.3 mm continuum images reveal within IRAM 04191+1522 two distinct sources with an angular separation of 7.''8 {+-} 0.''2. The two continuum sources are located in the southeast-northwest direction, with total gas masses of {approx}0.011 M{sub Sun} and {approx}0.005 M{sub Sun }, respectively. The southeastern source, associated with an infrared source seen in the Spitzer images, is the well-known Class 0 protostar with a bolometric luminosity of {approx}0.08 L{sub Sun }. The newly discovered northwestern continuum source is not visible in the Spitzer images at wavelengths from 3.6 to 70 {mu}m and has an extremely low bolometric luminosity (<0.03 L{sub Sun }). Complementary IRAM N{sub 2}H{sup +} (1-0) data that probe the dense gas in the common envelope suggest that the two sources were formed through the rotational fragmentation of an elongated dense core. Furthermore, comparisons between IRAM 04191+1522 and other protostars suggest that most cores with binary systems formed therein have ratios of rotational energy to gravitational energy {beta}{sub rot} > 1%. This is consistent with theoretical simulations and indicates that the level of rotational energy in a dense core plays an important role in the fragmentation process.

79 ASTRONOMY AND ASTROPHYSICS↗

THE C-FLAME QUENCHING BY CONVECTIVE BOUNDARY MIXING IN SUPER-AGB STARS AND THE FORMATION OF HYBRID C/O/Ne WHITE DWARFS AND SN PROGENITORS

After off-center C ignition in the cores of super asymptotic giant branch (SAGB) stars, the C flame propagates all the way down to the center, trailing behind it the C-shell convective zone, and thus building a degenerate ONe core. This standard picture is obtained in stellar evolution simulations if the bottom C-shell convection boundary is assumed to be a discontinuity associated with a strict interpretation of the Schwarzschild condition for convective instability. However, this boundary is prone to additional mixing processes, such as thermohaline convection and convective boundary mixing. Using hydrodynamic simulations, we show that contrary to previous results, thermohaline mixing is too inefficient to interfere with the C-flame propagation. However, even a small amount of convective boundary mixing removes the physical conditions required for the C-flame propagation all the way to the center. This result holds even if we allow for some turbulent heat transport in the CBM region. As a result, SAGB stars build in their interiors hybrid C-O-Ne degenerate cores composed of a relatively large CO core (M{sub CO} Almost-Equal-To 0.2 M{sub Sun }) surrounded by a thick ONe zone ({Delta}M{sub ONe} {approx}> 0.85 M{sub Sun }) with another thin CO layer above. If exposed by mass loss, these cores will become hybrid C-O-Ne white dwarfs. Otherwise, the ignition of C-rich material in the central core, surrounded by the thick ONe zone, may trigger a thermonuclear supernova (SN) explosion. The quenching of the C-flame may have implications for the ignition mechanism of SN Ia in the double-degenerate merger scenario.

79 ASTRONOMY AND ASTROPHYSICS↗

Validation of HELIOS for ATR Core Follow Analyses

This work summarizes the validation analyses for the HELIOS code to support core design and safety assurance calculations of the Advanced Test Reactor (ATR). Past and current core safety assurance is performed by the PDQ-7 diffusion code; a state of the art reactor physics simulation tool from the nuclear industry’s earlier days. Over the past twenty years, improvements in computational speed have enabled the use of modern neutron transport methodologies to replace the role of diffusion theory for simulation of complex systems, such as the ATR. More exact methodologies have enabled a paradigm-shift away from highly tuned codes that force compliance with a bounding safety envelope, and towards codes regularly validated against routine measurements. To validate HELIOS, the 16 ATR operational cycles from late-2009 to present were modeled. The computed power distribution was compared against data collected by the ATR’s on-line power surveillance system. It was found that the ATR’s lobe-powers could be determined with ±10% accuracy. Also, the ATR’s cold startup shim configuration for each of these 16 cycles was estimated and compared against the reported critical position from the reactor log-book. HELIOS successfully predicted criticality within the tolerance set by the ATR startup procedure for 13 out of the 16 cycles. This is compared to 12 times for PDQ (without empirical adjustment). These findings, as well as other insights discussed in this report, suggest that HELIOS is highly suited for replacing PDQ for core safety assurance of the ATR. Furthermore, a modern verification and validation framework has been established that allows reactor and fuel performance data to be computed with a known degree of accuracy and stated uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Stopping and transport of fast electrons in superdense matter

Studied is the stopping and transport of relativistic fast electrons in the vicinity of compressed dense plasma core relevant to fast ignition. Electromagnetic cascade Monte-Carlo is coupled to 2D-PIC simulation. The 2D PIC simulates input electron energy spectrum and angular dependence. The electron energy distributions after passing through the plasma core are calculated at different viewing angles, which well agree with the experiment below several MeV energy range. The implications of calculated results as to collisional damping on several MeV electrons are discussed with the theory based on the stopping power model. The spatial distribution of plasma temperature is also estimated via deposited energy by fast electrons, showing the strong heating at the core surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Inverter-Based Operation of Maui: Electromagnetic Transient Simulations

As larger and larger power systems approach and reach 100% inverter-based resource (IBR) operation during some hours of the year, questions arise regarding the stability of such extremely-high IBR power systems, the potential need for grid-forming (GFM) inverter technology, and the potential need for synchronous condensers. Relatedly, questions also arise about the ability of conventional positive sequence power system modeling tools to capture high-IBR system dynamics. This presentation introduces electromagnetic transient (EMT) simulations in PSCAD of the near-future (year 2023) Maui power system at and near 100% IBR operation and compares those simulations to positive sequence (PSSE) simulations. The Maui PSCAD model is parallelized on 30 cores and includes the entire transmission system (>200 three-phase buses), >170 individual and aggregate IBR models, four wind plants, and three synchronous generators plus six synchronous condensers at two locations. We investigate system stability with varying levels of inertia using conventional grid-following IBR controls, and then we investigate the impact of GFM controls on stability. Results suggest that: 1) positive sequence simulations can miss key dynamics in extremely high IBR cases; 2) EMT simulations can also miss key dynamics if inverter inner control dynamics are not modeled; 3) synchronous condensers can stabilize a system in which 100% of the energy is supplied by IBRs, even conventional grid-following IBRs; 4) GFM controls on just some of the IBRs can stabilize a 100% IBR power system, even if that system has zero inertia (i.e. no synchronous condensers, though synchronous condensers may be needed for other purposes such as protection system operations).

41 EE - Solar Energy Technologies Office (EE-4S)↗

A Co-Simulation Framework for Steady-State Analyses of Multiple Droop-based MTdc Grids in Continental-Scale Systems

The growing scale and complexity of planning continental hybrid ac and multi-terminal dc (MTdc) systems require scalable steady-state modeling and analysis approaches not currently available in commercial tools. This paper presents a comprehensive multi-fidelity model-conversion framework that enables the efficient transition of MTdc grid models from production cost modeling (PCM) and approximated ac power flow to detailed ac–MTdc power flow for large-scale planning studies. The core of this framework is a scalable co-simulation approach that, for the first time, enables power flow analysis in continental-scale ac–MTdc systems. It seamlessly couples commercial ac solvers with a detailed MTdc grid model that incorporates droop-based control and current-limiting strategies of multiple meshed MTdc grids. Leveraging this capability, an evaluation framework to systematically assess and compare different MTdc power redispatch strategies under ac and dc contingencies is introduced. The proposed framework and algorithm are evaluated using a combined Western and Eastern Interconnection system with 11 MTdc grids of various sizes, showing a coherent transition from PCM to detailed ac–MTdc power flow and improved system performance in voltage regulation and line overload mitigation following typical contingencies.

Nguyen, Quan H.↗

Direct observation of imploded core heating via fast electrons with super-penetration scheme

Fast ignition (FI) is a promising approach for high-energy-gain inertial confinement fusion in the laboratory. To achieve ignition, the energy of a short-pulse laser is required to be delivered efficiently to the pre-compressed fuel core via a high-energy electron beam. Therefore, understanding the transport and energy deposition of this electron beam inside the pre-compressed core is the key for FI. Here we report on the direct observation of the electron beam transport and deposition in a compressed core through the stimulated Cu Kα emission in the super-penetration scheme. Simulations reproducing the experimental measurements indicate that, at the time of peak compression, about 1% of the short-pulse energy is coupled to a relatively low-density core with a radius of 70 μm. Analysis with the support of 2D particle-in-cell simulations uncovers the key factors improving this coupling efficiency. Our findings are of critical importance for optimizing FI experiments in a super-penetration scheme.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improved Safety Injection Flow Map Associated with Target RCS Depressurization to Maintain Core Coolability of OPR1000

In Korea, Severe Accident Management Guidance (SAMG) for Optimized Power Reactor (OPR1000) has been developed through the research results related to the WOG SAMG, in which the operation phase shifts from the Emergency Operation Procedure (EOP) to the SAMG when the Core Exit Temperature (CET) reaches 923 K. Among 7 mitigation strategies envisioned, the third management strategy, injecting coolant into Reactor Coolant System (RCS) by depressurizing the RCS is one of the key strategies to fortify the in-vessel retention capability. As an aid to such mitigation strategy, a safety injection (SI) flow map has been developed by Lee et al. for predicting required flow rate associated with target RCS depressurization to recover in-vessel coolability. The mechanistic SI flow map used the CET increase rate and core water level decrease rate obtained from MELCOR code simulation. It should be noted that during the severe accident, the total heat generated is sum of the decay heat and the oxidation heat. Thus, it is necessary to consider additional heat sources by oxidation reaction between cladding, structure, control rod, and hot steam prior to the injection of coolant. It was believed that the SI model estimated required flow rate rather conservatively by considering the expected amount decay heat and the accumulated heat in the core based on the RCS pressure. However, it was confirmed that the SI model developed by Lee et al. could not represent the total heat removal especially since start of oxidation. Under transient conditions, the heat sources accumulated in the heat structures (fuel, cladding, supporting structures) should be embarked in the model for accurate contribution of the total heat source to the required flow rate. Therefore, the objective of this study is to improve the previous SI flow map predicting the injection flow rate associated with target RCS depressurization to satisfy the in-vessel coolability during severe accidents. Additional terms were developed to reflect accurate heat accumulating and included in the existing model. Resulting SI flow map includes the target RCS depressurization, which enables discharge of the required flow rate by utilizing the flow rate-pressure curve with operation of two high pressure safety injections (HPSIs). Also recent MELCOR simulation result of a postulated steam generator tube rupture (SGTR) accident verified the accuracy of the improved map.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The first-principle coupled calculations using TMCC and CFX for the pin-wise simulation of LWR

The coupling of neutronics and thermal-hydraulics plays an important role in the reactor safety, core design and operation of nuclear power facilities. This paper introduces the research on the coupling of Monte Carlo method and CFD method, specifically using TMCC and CFX. The methods of the coupling including the coupling approach, data transfer, mesh mapping and transient coupling scheme are studied firstly. The coupling of TMCC and CFX for the steady state calculations is studied and described for the single rod model and the 3 x 3 Rod Bundle model. The calculation results prove that the coupling method is feasible and the coupled calculation can be used for steady state calculations. However, the oscillation which occurs during the coupled calculation indicates that this method still needs to be improved for the accuracy. Then the coupling for the transient calculations is also studied and tested by two cases of the steady state and the lost of heat sink. The preliminary results of the transient coupled calculations indicates that the transient coupling with TMCC and CFX is able to simulate the transients but instabilities are occurring. It is also concluded that the transient coupling of TMCC and CFX needs to be improved due to the limitation of computational resource and the difference of time scales. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

FaceSheet Push-off Tests to Determine Composite Sandwich Toughness at Cryogenic Temperatures

A new novel test method, associated analysis, and experimental procedures are developed to investigate the toughness of the facesheet-to-core interface of a sandwich material at cryogenic temperatures. The test method is designed to simulate the failure mode associated with facesheet debonding from high levels of gas pressure in the sandwich core. The effects of specimen orientation are considered, and the results of toughness measurements are presented. Comparisons are made between room and liquid nitrogen (-196 C) test temperatures. It was determined that the test method is insensitive to specimen facesheet orientation and strain energy release rate increases with a decrease in the test temperature.

Gates, Thomas S.↗

Photoemission Electron Microscopy of a Plasmonic Silver Nanoparticle Trimer

We present a combined experimental and theoretical study to investigate the spatial distribution of photoelectrons emitted from core-shell silver (Ag) nanoparticles. We use two-photon photoemission microscopy (2P-PEEM) to spatially resolve electron emission from a trimeric core-shell aggregate of triangular symmetry. Finite difference time domain (FDTD) simulations are performed to model the intensity distributions of the electromagnetic near-fields resulting from femtosecond (fs) laser excitation of localized surface plasmon oscillations in the triangular core-shell structure. We demonstrate that the predicted FDTD near-field intensity distribution reproduces the 2P-PEEM photoemission pattern.

Environmental Molecular Sciences Laboratory↗

Double core hole valence-to-core x-ray emission spectroscopy: A theoretical exploration using time-dependent density functional theory

With the help of newly developed X-ray free-electron laser (XFEL) sources, creating double core holes (DCHs) simultaneously at the same or different atomic sites in a molecule has now become possible. DCH X-ray emission is a new form of X-ray nonlinear spectroscopy that can be studied with a XFEL. Here in this paper, we computationally explore the metal K-edge valence-to-core (VtC) X-ray emission spectroscopy (XES) of metal/metal and metal/ligand DCH states in a series of transition metal complexes with time-dependent density functional theory. The simulated DCH VtC-XES signals are compared with conventional single core hole (SCH) XES signals. The energy shifts and intensity changes of the DCH emission lines with respect to the corresponding SCH-XES features are fingerprints of the coupling between the second core hole and the occupied orbitals around the DCHs that contain important chemical bonding information of the complex. The difference between delocalized/localized core hole models on DCH VtC-XES is also briefly discussed. We theoretically demonstrate that DCH XES provides subtle information on the local electronic structure around metal centers in transition metal complexes beyond conventional linear XES. In conclusion, our predicted changes from calculations between SCH-XES and DCH-XES features should be detectable with modern XFEL sources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An algorithm for physics informed scan path optimization in additive manufacturing

Site specific microstructure control is a critical research area within the field of additive manufacturing due to its potential to revolutionize part performance. One way to achieve site specific microstructure control is through control of the solidification conditions via the construction of intricate scan paths; however, the search space for such a problem is large. Previous attempts only considered the solidification conditions at the top surface while also requiring either lots of manual-fine tuning or large amounts of computational resources. This paper introduces a general method for scan path optimization which considers the solidification conditions in the bulk of the material without an increase in computational expense. This method consists of three core components:1. A heat transfer model for simulating the temperature field at a given time.2. A surrogate model which takes scan pattern information and temperature data and predicts the solidification conditions of the bulk as well as the meltpool depths for a spot melt.3. A decision algorithm to decide which spot melt should be printed next based on the outputs of the surrogate model.Each of these components can be changed without changing the overall method. Within this work, this method is applied in the creation of an algorithm containing a semi-analytic heat transfer model to simulate the temperature field, a fully convolutional neural network (FCNN) as the surrogate model, and a greedy decision algorithm. The resulting algorithm produced complex scan patterns which gave strong results for simulated microstructure control.

36 MATERIALS SCIENCE↗