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At least 1,477 records · Page 82

Odd Diffusivity of Chiral Random Motion

Diffusive transport is characterized by a diffusivity tensor which may, in general, contain both a symmetric and an antisymmetric component. Although the latter is often neglected, we derive Green-Kubo relations showing it to be a general characteristic of random motion breaking time-reversal and parity symmetries, as encountered in chiral active matter. In analogy with the odd viscosity appearing in chiral active fluids, we term this component the odd diffusivity. Furthermore, we show how odd diffusivity emerges in a chiral random walk model, and demonstrate the applicability of the Green-Kubo relations through molecular dynamics simulations of a passive tracer particle diffusing in a chiral active bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the Risk of Enabling Energy Storage Systems to Provide Multiple Services

Battery energy storage systems (BESS) are emerging as a promising, versatile technology for modern power grids due to their inherent distributed nature, their ability to inject bidirectional power flows and to provide multiple grid services. With the proliferation of intermittent renewable energy resources, the BESS procurement is also expected to increase, thereby creating systematic and strategic opportunities for BESS to various revenue streams for providing multiple grid services. Utilizing a co-simulation architecture, this work presents evaluation framework for enabling Utility-scale BESS with simultaneous provision of multiple services. The proposed framework is implemented on a real-life feeder modeled in GridLAB-D, leveraging multi-service grid support. A Risk-Aware control strategy is also implemented in this work that that takes into account the uncertain nature of some of the stochastic services and ensures the BESS to deliver their service commitments. This promotes overall grid reliability and encourages BESS implementation through the revenue streams from providing multiple grid services.

Theisen, John↗

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-Resolving Model Simulations

Cloud microphysics are inevitable affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds, Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effect of atmospheric aerosol concentration on cloud development, rainfall production, and rainfall rates for convective clouds. Recently, a detailed spectral-bin microphysical scheme was implemented into the the Goddard Cumulus Ensemble (GCE) model. The formulation for the explicit spectral-bim microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles [i.e., pristine ice crystals (columnar and plate-like), snow (dendrites and aggregates), graupel and frozen drops/hail]. Each type is described by a special size distribution function containing many categories (i.e., 33 bins). Atmospheric aerosols are also described using number density size-distribution functions.

Tao, Wei-Kuo↗

A MODEL FOR (QUASI-)PERIODIC MULTIWAVELENGTH PHOTOMETRIC VARIABILITY IN YOUNG STELLAR OBJECTS

We present radiation transfer models of rotating young stellar objects (YSOs) with hot spots in their atmospheres, inner disk warps, and other three-dimensional effects in the nearby circumstellar environment. Our models are based on the geometry expected from magneto-accretion theory, where material moving inward in the disk flows along magnetic field lines to the star and creates stellar hot spots upon impact. Due to rotation of the star and magnetosphere, the disk is variably illuminated. We compare our model light curves to data from the Spitzer YSOVAR project to determine if these processes can explain the variability observed at optical and mid-infrared wavelengths in young stars. We focus on those variables exhibiting “dipper” behavior that may be periodic, quasi-periodic, or aperiodic. We find that the stellar hot-spot size and temperature affects the optical and near-infrared light curves, while the shape and vertical extent of the inner disk warp affects the mid-IR light curve variations. Clumpy disk distributions with non-uniform fractal density structure produce more stochastic light curves. We conclude that magneto-accretion theory is consistent with certain aspects of the multiwavelength photometric variability exhibited by low-mass YSOs. More detailed modeling of individual sources can be used to better determine the stellar hot-spot and inner disk geometries of particular sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermodynamic consistency and fluctuations in mesoscopic stochastic simulations of reactive gas mixtures

It is essential that mesoscopic simulations of reactive systems reproduce the correct statistical distributions at thermodynamic equilibrium. By considering a compressible fluctuating hydrodynamics (FHD) simulation method of ideal gas mixtures undergoing reversible reactions described by the chemical Langevin equations, we show that thermodynamic consistency in reaction rates and the use of instantaneous temperatures for the evaluation of reaction rates is required for fluctuations for the overall system to be correct. We then formulate the required properties of a thermodynamically consistent reaction (TCR) model. As noted in the literature, while reactions are often discussed in terms of forward and reverse rates, these rates should not be modeled independently because they must be compatible with thermodynamic equilibrium for the system. Using a simple TCR model where each chemical species has constant heat capacity, we derive the explicit condition that the forward and reverse reaction rate constants must satisfy in order for the system to be thermodynamically consistent. We perform equilibrium and non-equilibrium simulations of ideal gas mixtures undergoing a reversible dimerization reaction to measure the fluctuational behavior of the system numerically. We confirm that FHD simulations with the TCR model give the correct static structure factor of equilibrium fluctuations. For the statistically steady simulation of a gas mixture between two isothermal walls with different temperatures, we show using the TCR model that the temperature variance agrees with the corresponding thermodynamic-equilibrium temperature variance in the interior of the system, whereas noticeable deviations are present in regions near walls, where chemistry is far from equilibrium.

Polimeno, Matteo [University of California, Merced↗

Wave-optics modeling of the optical-transport line for passive optical stochastic cooling

Optical stochastic cooling (OSC) is expected to enable fast cooling of dense particle beams. Transition from microwave to optical frequencies enables an achievement of stochastic cooling rates which are orders of magnitude higher than ones achievable with the classical microwave based stochastic cooling systems. A subsystemcritical to the OSC scheme is the focusing optics used to image radiation from the upstream “pickup” undulator to the downstream “kicker” undulator. In this paper, we present simulation results using wave-optics calculation carried out with the Synchrotron Radiation Workshop (SRW). Our simulations are performed in support to a proof-of-principle experiment planned at the Integrable Optics Test Accelerator (IOTA) at Fermilab. The calculations provide an estimate of the energy kick received by a 100-MeV electron as it propagates in the kicker undulator and interacts with the electromagnetic pulse it radiated at an earlier time while traveling through the pickup undulator.

42 ENGINEERING↗

Transitions From Stochastic to Point Kinetics Models In Fissile Solutions

Fissile solutions form an integral part of the fuel cycle, being used to store and process both fresh fuel and waste. Fissile solutions are also found within Aqueous Homogeneous Reactors (AHRs) including research reactors such as CRAC and SILENE and also potential future systems which could be used for the production of medical isotopes. In the case of fissile solutions in the fuel cycle, avoiding criticality is a priority but accidents have occurred in which a significant number of fissions occurred. In the case of AHRs, a sustained neutron population and fission rate is desired. In both cases the ability to simulate transients where changes in reactivity cause the neutron population to increase are important. A popular method for the simulation of such transients is the point kinetic method which allows the capture of the major features of a transient at a fraction of the computational runtime and code complexity of more comprehensive modelling technologies. A limitation of the point kinetics method and other mainstream methods of predicting neutron behaviour is that they assume the neutron population is large enough that the mean behaviour will be observed. When the neutron population is low, however, the deviation around the mean behaviour is expected to be relatively large as there is an aleatoric uncertainty arising from the uncertain fate of individual neutrons. Such limitations are of particular importance when the reactivity of a system is rapidly increasing while the neutron population is low, which is often true in accident scenarios involving fissile solutions. This provides the motivation for the coupling of point kinetics and a probabilistic models of fissile solutions. This summary aims to explore some of the behaviours resulting from a low neutron population and rising reactivity using a coupled probabilistic and point kinetics model of a fissile solution. As the effects of a low neutron population are the primary concern of this summary, the point kinetics and thermal hydraulic models used will be relatively simple but these models should be sufficient to capture the most important behaviours of the system in the first minute or so of a transient. This work is an extension of the work found in [1]. In that work the methodology was applied to fast pulses produced by systems such as Godiva and its results were found to compare favourably to experimental and analytical results, such as the burst wait time, in [2]. This work focuses on the application of this methodology to a fissile solution but the method could be applied to a number of criticality safety or reactor operation scenarios through suitable modification of the point kinetics model and would produce a more accurate prediction of the peak power obtained when a system first becomes critical compared to the use of a standard point kinetics model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Dynamic Behavior of Engineered Lattice Materials

Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. Here, the experimental observations made on arrays of 4 x 4 x 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations.

36 MATERIALS SCIENCE↗

Ignition thresholds of aluminized HMX-based polymer-bonded explosives

Here, the ignition of aluminized HMX-based polymer-bonded explosives (PBXs) under shock loading is studied via mesoscale simulations. The conditions analyzed concern loading pulses of 20 nanoseconds to 0.8 microseconds in duration and impact piston velocities on the order of 400-1000 m/s or loading stresses on the order of 3-14 GPa. The sets of samples studied have stochastically similar microstructures consisting of a bimodal distribution of HMX grains, an Estane binder, and aluminum particles 50-100 µm in diameter. The computational model accounts for constituent elasto-viscoplasticity, viscoelasticity, bulk compressibility, fracture, interfacial debonding, internal contact, bulk and frictional heating, and heat conduction. The analysis focuses on the development of hotspots under different material settings and loading conditions. In particular, the ignition thresholds in the forms of the James relation and the Walker-Wasley relation and the corresponding ignition probability are calculated and expressed as functions of the aluminum volume fraction for the PBXs analyzed. Lastly, it is found that the addition of aluminum raises the ignition thresholds, causing the materials to be less sensitive. Dissipation and heating mechanism changes responsible for this trend are delineated.

36 MATERIALS SCIENCE↗

Improving noisy free-energy measurements by adding more noise

Estimating free-energy differences using nonequilibrium work relations, such as the Jarzynski equality, is hindered by poor convergence when work fluctuations are large. For systems governed by overdamped Langevin dynamics, we propose the counterintuitive approach of adding noise in order to increase the precision of such calculations. Here, by introducing additional stochastic fluctuations to the system and rescaling its potential energy accordingly, we leave the thermodynamics of the system unchanged while increasing its relaxation rate. For a given time-dependent protocol this modification reduces the dissipated reduced work, leading to more accurate free-energy estimates. The method is designed to be used in experiment, and we illustrate its operation using computer simulations applied to two model systems. However, the regime of applicability of this strategy is likely limited, because it requires control of the system's potential energy in a way that is feasible in only a few experimental settings.

Whitelam, Stephen [Lawrence Berkeley National Labo↗

Constraining early dark energy with gravitational waves before recombination

In this work, we show that the nonperturbative decay of ultralight scalars into Abelian gauge bosons, recently proposed as a possible solution to the Hubble tension, produces a stochastic background of gravitational waves which is constrained by the cosmic microwave background. We simulate the full nonlinear dynamics of resonant dark photon production and the associated gravitational-wave production, finding the signals to exceed constraints for the entire parameter space we consider. Our findings suggest that gravitational-wave production from the decay of early dark energy may provide a unique probe of these models.

79 ASTRONOMY AND ASTROPHYSICS↗

Mitigating Cascading Outages in Severe Weather Using Simulation-Based Optimization

Severe weather events can trigger cascading power outages and lead to significant losses. In this work, we investigate cascading outage mitigation under severe weather conditions. Given day-ahead weather forecasts and component failure models, we aim to identify a set of power lines that can be hardened to minimize the expected impact of potential cascading outages. Since the expected load shedding cannot be expressed as an explicit function of line hardening decisions and system states, we developed a cascading outage simulator to estimate the expected value of load shedding under various initial weather-related disruption scenarios generated using a weather forecast. To avoid massive enumeration of all possible combinations of line hardening decisions and reduce the simulation efforts, we employed an efficient simulation-based optimization approach that quickly identifies the (near) optimal line hardening decisions in the presence of both large simulation noises due to the highly variable initial disturbances and system states, and significant randomness in the subsequent cascades. Furthermore, the algorithm is also able to utilize parallel computing to dramatically reduce computation time to support decision making in preparation for severe weather conditions. We performed a case study on the Northeast Power Coordinating Council (NPCC) 140-bus system model to demonstrate that our approach can significantly improve power grid resilience to adverse weather events.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of Sequential Design of Experiments (SDoE) to Large Pilot-Scale Solvent-Based CO2 Capture Process at Technology Centre Mongstad (TCM)

The United States Department of Energy’s Carbon Capture Simulation for Industry Impact (CCSI2) program has developed a framework for sequential design of experiments (SDoE) that aims to maximize knowledge gained from budget- and schedule-limited pilot scale testing. SDoE was applied to the planning and execution of campaigns for testing CO2 capture systems at pilot-scale in order to optimally allocate resources available for the testing. In this methodology, a stochastic process model is developed by quantifying the parametric uncertainty in submodels of interest; for a solvent-based CO2 capture system, these may include physical properties and equipment performance submodels (e.g., mass transfer, interfacial area). This uncertainty is propagated through the full process model, over variable operating conditions, for estimating the resulting uncertainty in key model outputs (e.g., percentage of CO2 capture, solvent regeneration energy requirement). In developing a data collection plan, the predicted output uncertainty is incorporated into an algorithm that seeks simultaneously to select process operating conditions for which the predicted uncertainty is relatively high and to ensure that the entire space of operation is well represented. This test plan is then used to guide operation of the pilot plant at varying steady-state conditions, with resulting process data incorporated into the existing model using Bayesian inference to refine parameter distributions. The updated stochastic model, with reduced parametric uncertainty from data collected, is then used to guide additional data collection, thus the sequential nature of the experimental design. The SDoE process was implemented at the pilot test unit (12 MWe in scale) at Norway’s Technology Centre Mongstad (TCM) in a summer 2018 test campaign with aqueous monoethanolamine (MEA). During the test campaign, the varied operating conditions included the flowrates of circulated solvent, flue gas, and reboiler steam and the CO2 concentration in the flue gas. The process data were used to update probability distributions of mass transfer and interfacial area parameters of a stochastic process model developed by the CCSI2 team. Two iterations of the SDoE process were executed, resulting in the uncertainty in model predicted CO2 capture percentage decreasing by an average of 58.0 ± 4.7% over the full input space of interest. This work demonstrates the potential of the SDoE process for model refinement through reduction in process model parametric uncertainty, and ultimately risk in scale-up, in CO2 capture technology performance.

carbon capture↗

Early Career Award: An Enabling Computational Framework for Uncertainty Assimilation and Propagation in Complex PDE Systems: Sparse and Low-rank Techniques (Final Report)

This project aims to develop a set of new theories, algorithms, and computational tools that enable ultra-scalable representation and propagation of high-dimensional uncertainties to circumvent the issue of curse-of-dimensionality. The research components are motivated by the fact that highly scalable algorithms are needed to achieve exascale performance for uncertainty quantification and predictive simulation at extreme scales. Although these developments are generic and applicable to a wide range of high-dimensional, complex, stochastic, partial-differential-equation (PDE) systems, this research effort will focus on predictive simulation of high-energy-density lithium batteries. To create knowledge about the precise failure mechanisms of these batteries and ultimately predict their performance and reliability, a truly data-driven, multi-scale, multi-physics framework is needed that allows studying (i) dominant sources of uncertainty in the governing physical models at all scales of relevance and (ii) the interface between the interchanging physics and scales. The impact of the planned mathematical and numerical advancements in prediction of high-dimensional uncertain systems will be broad across areas of engineering and science such as climate modeling, fusion energy, combustion, and nanoscience, among others.

97 MATHEMATICS AND COMPUTING↗

The Mock LISA Data Challenge Round 3: New and Improved Sources

The Mock LISA Data Challenges are a program to demonstrate and encourage the development of data-analysis capabilities for LISA. Each round of challenges consists of several data sets containing simulated instrument noise and gravitational waves from sources of undisclosed parameters. Participants are asked to analyze the data sets and report the maximum information they can infer about the source parameters. The challenges are being released in rounds of increasing complexity and realism. Challenge 3. currently in progress, brings new source classes, now including cosmic-string cusps and primordial stochastic backgrounds, and more realistic signal models for supermassive black-hole inspirals and galactic double white dwarf binaries.

Baker, John↗

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-resolving Model Simulations

Cloud microphysics is inevitably affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds. Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effects of atmospheric aerosol concentration on cloud development, r d a U production, and rainfall rates for convective clouds. Recently, two detailed spectral-bin microphysical schemes were implemented into the Goddard Cumulus Ensembe1 (GCE) model. The formulation for the explicit spectral-bin microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles [i.e. pristine ice crystals (columnar and platelike), snow (dendrites and aggregates), graupel and frozen drops/hail]. Each type is described by a special size distribution function containing many categories (i.e. 33 bins). Atmospheric aerosols are also described using number density size-distribution functions. A spectral-bin microphysical model is very expensive from a computational point of view and has only been implemented into the 2D version of the GCE at the present time. The model is tested by studying the evolution of deep tropical clouds in the west Pacific warm pool region and in the mid-latitude continent with different concentrations of CCN: a low "c1ean"concentration and a high "dirty" concentration. In addition, differences and similarities between bulk microphysics and spectral-bin microphysical schemes will be examined and discussed.

Tao, Wei-Kuo↗

Turning around along the cosmic web

A bound violation designates a case in which the turnaround radius of a bound object exceeds the upper limit imposed by the spherical collapse model based on the standard ΛCDM paradigm. Given that the turnaround radius of a bound object is a stochastic quantity and that the spherical model overly simplifies the true gravitational collapse, which actually proceeds anisotropically along the cosmic web, the rarity of the occurrence of a bound violation may depend on the web environment. Assuming a Planck cosmology, we numerically construct the bound-zone peculiar velocity profiles along the cosmic web (filaments and sheets) around the isolated groups with virial mass M{sub v}⩾3×10{sup 13} h{sup −1} M{sub ⊙} identified in the Small MultiDark Planck simulations and determine the radial distances at which their peculiar velocities equal the Hubble expansion speed as the turnaround radii of the groups. It is found that although the average turnaround radii of the isolated groups are well below the spherical bound limit on all mass scales, the bound violations are not forbidden for individual groups, and the cosmic web has an effect of reducing the rarity of the occurrence of a bound violation. Explaining that the spherical bound limit on the turnaround radius in fact represents the threshold distance up to which the intervention of the external gravitational field in the bound-zone peculiar velocity profiles around the nonisolated groups stays negligible, we discuss the possibility of using the threshold distance scale to constrain locally the equation of state of dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical simulation of runaway electrons: 3-D effects on synchrotron radiation and impurity-based runaway current dissipation

Numerical simulations of runaway electrons (REs) with a particular emphasis on orbit dependent effects in 3-D magnetic fields are presented. The simulations were performed using the recently developed Kinetic Orbit Runaway electron Code (KORC) that computes the full-orbit relativistic dynamics in prescribed electric and magnetic fields including radiation damping and collisions. The two main problems of interest are synchrotron radiation and impurity-based RE dissipation. Synchrotron radiation is studied in axisymmetric fields and in 3-D magnetic configurations exhibiting magnetic islands and stochasticity. For passing particles in axisymmetric fields, neglecting orbit effects might underestimate or overestimate the total radiation power depending on the direction of the radial shift of the drift orbits. For trapped particles, the spatial distribution of synchrotron radiation exhibits localized “hot” spots at the tips of the banana orbits. In general, the radiation power per particle for trapped particles is higher than the power emitted by passing particles. The spatial distribution of synchrotron radiation in stochastic magnetic fields, obtained using the MHD code NIMROD, is strongly influenced by the presence of magnetic islands. 3-D magnetic fields also introduce a toroidal dependence on the synchrotron spectra, and neglecting orbit effects underestimates the total radiation power. In the presence of magnetic islands, the radiation damping of trapped particles is larger than the radiation damping of passing particles. Results modeling synchrotron emission by RE in DIII-D quiescent plasmas are also presented. The computation uses EFIT reconstructed magnetic fields and RE energy distributions fitted to the experimental measurements. Qualitative agreement is observed between the numerical simulations and the experiments for simplified RE pitch angle distributions. However, it is noted that to achieve quantitative agreement, it is necessary to use pitch angle distributions that depart from simplified 2-D Fokker-Planck equilibria. Finally, using the guiding center orbit model (KORC-GC), a preliminary study of pellet mitigated discharges in DIII-D is presented. The dependence of RE energy decay and current dissipation on initial energy and ionization levels of neon impurities is studied. Furthermore, the computed decay rates are within the range of experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗