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At least 847 records · Page 47

Using interfaces to: create strongly-coupled magnetic-ferroelectrics

Starting at the level of electrons and atoms our long-term goal is to rationally design complex oxide heterostructures and interface-materials with targeted emergent behaviors. This is not a matter of simply optimizing material parameters, but rather begins with understanding a mechanism to control the interplay between the diverse microscopic degrees of freedom prevalent in complex oxides in order to create targeted macroscopic phenomena and ends with the design of new material realizations. These realizations are in turn created with atomic-layer precision, structurally assessed to see that they are the intended realization, and finally their relevant properties are measured. During this program we have developed the scientific ideas necessary to apply this materials-by-design paradigm to the creation of materials offering electrical control of magnetism. At the heart of our approach lies a partnership between theory, synthesis, and characterization. These are the areas of expertise of the three co-PIs, who have worked closely together since their arrival at Cornell. During this project bold ideas on where to put the atoms to provide electrical control of magnetism were met with the latest methods of synthesis science and electron microscopy in an attempt create targeted new multiferroics. Our work applying this materials-by-design methodology to multiferroics has enjoyed multiple successes. The Co-PIs have invented new mechanisms for multiferroics, which provide strong coupling between polarization and magnetism, and reduced them to practice. Specifically, we pioneered multiferroics based on spin-phonon coupling, rotation-driven multiferroicity, and novel geometric multiferroics. Importantly, the latter two of these mechanisms enable the deterministic switching of magnetism by an applied electric field, which is key to the application of multiferroics to future device technologies. Most recently, we performed detailed theoretical analysis on a system involving the combination of magnetoelectric and colossal magnetoresistance behaviors and predict that electrical control of a metal-insulator transition is possible in appropriately strained SmBaMn2O6. The research enabled by this grant led to 63 publications in leading refereed journals including Nature, Nature Materials, Physical Review Letters, and Advanced Materials demonstrating a materials-by-design paradigm to the creation of materials offering electrical control of magnetism.

36 MATERIALS SCIENCE↗

Investigation of HZETRN 2010 as a Tool for Single Event Effect Qualification of Avionics Systems - Part II

An accurate prediction of spacecraft avionics single event effect (SEE) radiation susceptibility is key to ensuring a safe and reliable vehicle. This is particularly important for long-duration deep space missions for human exploration where there is little or no chance for a quick emergency return to Earth. Monte Carlo nuclear reaction and transport codes such as FLUKA can be used to generate very accurate models of the expected in-flight radiation environment for SEE analyses. A major downside to using a Monte Carlo-based code is that the run times can be very long (on the order of days). A more popular choice for SEE calculations is the CREME96 deterministic code, which offers significantly shorter run times (on the order of seconds). However, CREME96, though fast and easy to use, has not been updated in several years and underestimates secondary particle shower effects in spacecraft structural shielding mass. Another modeling option to consider is the deterministic code HZETRN 20104, which includes updates to address secondary particle shower effects more accurately. This paper builds on previous work by Rojdev, et al. to compare the use of HZETRN 2010 against CREME96 as a tool to verify spacecraft avionics system reliability in a space flight SEE environment. This paper will discuss modifications made to HZETRN 2010 to improve its performance for calculating SEE rates and compare results with both in-flight SEE rates and other calculation methods.

Rojdev, Kristina↗

Application of Machine Learning Techniques to Delay Tolerant Network Routing

This dissertation discusses several machine learning techniques to improve routing in delay tolerant networks (DTNs). These are networks in which there may be long one-way trip times, asymmetric links, high error rates, and deterministic as well as non-deterministic loss of contact between network nodes, such as interplanetary satellite networks, mobile ad hoc networks and wireless sensor networks. This work uses historical network statistics to train a multi-label classifier to predict reliable paths through the network. In addition, a clustering technique is used to predict future mobile node locations. Both of these techniques are used to reduce the consumption of resources such as network bandwidth, memory and data storage that is required by replication routing methods often used in opportunistic DTN environments. Thesis contributions include: an emulation tool chain developed to create a DTN test bed for machine learning, the network and software architecture for a machine learning based routing method, the development and implementation of classification and clustering techniques and performance evaluation in terms of machine learning and routing metrics.

Dudukovich, Rachel M.↗

APPLICATION OF THE FAVOR-OCI FRACTURE MECHANICS COMPUTER PROGRAM TO ASME CODE SECTION XI, IWB-3610 FLAW ACCEPTANCE CRITERIA EVALUATIONS

This paper presents an overview of added features in a new version of the FAVOR (Fracture Analysis of Vessels Oak Ridge) computer code called FAVOR-OCI. The original FAVOR code was developed at the US Department of Energy’s Oak Ridge National Laboratory (ORNL) under the sponsorship of the US Nuclear Regulatory Commission (NRC). FAVOR is applied by US and international nuclear power industries to perform deterministic and probabilistic fracture mechanics analyses of commercial nuclear reactor pressure vessels (RPVs). Appli-cations of FAVOR are focused on insuring that the structural integrity of aging, and increasingly embrittled, RPVs is main-tained throughout their licensed service life. Based on the final ORNL release of FAVOR, v16.1, FAVOR-OCI extends existing deterministic features of FAVOR while preserving all prev-iously-existing probabilistic capabilities of FAVOR.The objective of this paper is to describe new deterministic features in FAVOR-OCI that can be applied to analytical evaluations of planar flaws. These evaluations are consistent with the acceptance criteria of ASME Code, Section XI, Article IWB-3610, including Subarticles IWB-3611 (acceptance based on flaw size) and IWB-3612 (acceptance based on applied stress intensity factor). The linear elastic fracture mechanics (LEFM) capabilities of FAVOR-OCI also incorporate the analytical procedures presented in the Nonmandatory Appendix A, Analysis of Flaws, Article A-3000, Method of KI Determination, for both surface and subsurface (embedded) flaws.The paper describes a computational methodology for determining critical values of fracture-related parameters that satisfy ASME Code Section XI acceptance criteria for flaws exposed to multiple thermal-hydraulic transients. These com-pute-intensive analyses can be carried out with a single execution of FAVOR-OCI. The new methodology determines critical values by solving for either the point of tangency or point of intersection between applied KI versus time histories and a user-selected fracture toughness material property (e.g., ASME KIc, FAVOR Weibull KIc, or Master Curve Weibull KJc) for surface or subsurface flaws. Situations where warm prestress conditions apply can also be addressed. The paper highlights a need for this new capability via applications to a recent independent review of safety cases for RPVs in two Belgian nuclear power plants (NPPs). That review required ASME Section XI assessments of several thousand embedded, quasi-laminar flaws in the wall of each RPV. Analysis results provided by the new capability contributed to the technical bases compiled from several sources by the Belgian nuclear regulatory agency (FANC) and eventually used by FANC to justify the restart of these NPPs.

Dickson, Terry L.↗

Modeling State Transition and Head-Dependent Efficiency Curve for Pumped Storage Hydro in Look-Ahead Dispatch

As one of the most widely installed utility-scale storage facilities, pumped storage hydro (PSH) plays an essential role in providing flexibility for power systems worldwide. Thus, to accurately quantify the flexibility of PSH units in operational optimization problems is important. The conventional PSH models in the literature rarely consider detailed state transitions due to their hourly-based settings. However, it becomes imperative for operational optimization on short-term intervals, especially with increasing shares of renewable energy in power systems. To this end, this paper presents a novel deterministic PSH model that considers the transition time and trajectory between three states of PSH units in look-ahead dispatch. Moreover, to better characterize the varying efficiency of PSH units with water head and flow rate, this paper proposes to model detailed headdependent efficiency curves (hereafter called input-output curves) in look-ahead dispatch, which encounters heavy computational burdens when short time intervals are applied. In this work, a zig-zag piece-wise linear approximation method is used for input-output curve modeling. This can enable an accurate quantification for variable efficiency and head dependence in a computationally effective manner. Here, numerical results are presented to show performances of the proposed PSH model in both flexibility quantification and computation time.

13 HYDRO ENERGY↗

Quantum Foundations of Classical Reversible Computing

The reversible computation paradigm aims to provide a new foundation for general classical digital computing that is capable of circumventing the thermodynamic limits to the energy efficiency of the conventional, non-reversible digital paradigm. However, to date, the essential rationale for, and analysis of, classical reversible computing (RC) has not yet been expressed in terms that leverage the modern formal methods of non-equilibrium quantum thermodynamics (NEQT). In this paper, we begin developing an NEQT-based foundation for the physics of reversible computing. We use the framework of Gorini-Kossakowski-Sudarshan-Lindblad dynamics (a.k.a. Lindbladians) with multiple asymptotic states, incorporating recent results from resource theory, full counting statistics and stochastic thermodynamics. Important conclusions include that, as expected: (1) Landauer’s Principle indeed sets a strict lower bound on entropy generation in traditional non-reversible architectures for deterministic computing machines when we account for the loss of correlations; and (2) implementations of the alternative reversible computation paradigm can potentially avoid such losses, and thereby circumvent the Landauer limit, potentially allowing the efficiency of future digital computing technologies to continue improving indefinitely. We also outline a research plan for identifying the fundamental minimum energy dissipation of reversible computing machines as a function of speed.

97 MATHEMATICS AND COMPUTING↗

Particle-laden swirling free jets: Measurements and predictions

A theoretical and experimental investigation of single-phase and particle-laden weakly swirling jets was conducted. The jets were injected vertically downward from a 19 mm diameter tube with swirl numbers ranging from 0 to 0.33. The particle-laden jets had a single loading ratio (0.2) with particles having a SMD of 39 microns. Mean and fluctuating properties of both phases were measured using nonintrusive laser based methods while particle mass flux was measured using an isokinetic sampling probe. The continuous phase was analyzed using both a baseline kappa-epsilon turbulence model and an extended version with modifications based on the flux Richardson number to account for effects of streamline curvature. To highlight effects of interphase transport rates and particle/turbulence interactions, effects of the particles were analyzed as follows: (1) locally homogeneous flow (LHF) analysis, where interphase transport rates are assumed to be infinitely fast; (2) deterministic separated flow (DSF) analysis, where finite interphase transport rates are considered but particle/turbulence interactions are ignored; and (3) stochastic separated flow (SSF) analysis, where both effects are considered using random-walk computations.

Bulzan, D. L.↗

Particle-laden swirling free jets - Measurements and predictions

A theoretical and experimental investigation of single-phase and particle-laden weakly swirling jets was conducted. The jets were injected vertically downward from a 19 mm diameter tube with swirl numbers ranging from 0 to 0.33. The particle-laden jets had a single loading ratio (0.2) with particles having an SMD of 39 micrometers. Mean and fluctuating properties of both phases were measured using nonintrusive laser based methods while particle mass flux was measured using an isokinetic sampling probe. The continuous phase was analyzed using both a baseline k-epsilon turbulence model and an extended version with modifications based on the flux Richardson number to account for effects of streamline curvature. To highlight effects of interphase transport rates and particle/turbulence interactions, effects of the particles were analyzed as follows: (1) locally homogeneous flow (LHF) analysis, where interphase transport rates are assumed to be infinitely fast; (2) deterministic separated flow (DSF) analysis, where finite interphase transport rates are considered but particle/turbulence interactions are ignored; and (3) stochastic separated flow (SSF) analysis, where both effects are considered using random-walk computations.

Bulzan, D. L.↗

Model for radial dependence of frequency distributions for energy imparted in nanometer volumes from HZE particles

This paper develops a deterministic model of frequency distributions for energy imparted (total energy deposition) in small volumes similar to DNA molecules from high-energy ions of interest for space radiation protection and cancer therapy. Frequency distributions for energy imparted are useful for considering radiation quality and for modeling biological damage produced by ionizing radiation. For high-energy ions, secondary electron (delta-ray) tracks originating from a primary ion track make dominant contributions to energy deposition events in small volumes. Our method uses the distribution of electrons produced about an ion's path and incorporates results from Monte Carlo simulation of electron tracks to predict frequency distributions for ions, including their dependence on radial distance. The contribution from primary ion events is treated using an impact parameter formalism of spatially restricted linear energy transfer (LET) and energy-transfer straggling. We validate our model by comparing it directly to results from Monte Carlo simulations for proton and alpha-particle tracks. We show for the first time frequency distributions of energy imparted in DNA structures by several high-energy ions such as cosmic-ray iron ions. Our comparison with results from Monte Carlo simulations at low energies indicates the accuracy of the method.

Non-NASA Center↗

Aeroelastic Uncertainty Quantification of a Low-Boom Aircraft Configuration

As the state of the art in uncertainty quantification for low-boom aircraft advances, the underlying assumption of a rigid airframe must be revisited. The goal of this research is to investigate the impact of uncertainties in aeroelastic deformation of a low-boom aircraft on ground noise. Variations in structural properties and uncertainties in loading, derived from flight conditions, both factor into the overall aeroelastic deformation and subsequently the ground noise. Incorporation of these aeroelastic uncertainties in the prediction of ground noise during the design phase can lead to improved robustness. In this paper, a review of methodologies and techniques employed in low-boom uncertainty quantification will be given. In addition, methods for aeroelastic uncertainty quantification are integrated into the previous work and a generalized set of procedures is established. In a case study implementing the analysis procedures, ground noise generated from a static aeroelastic deformed low-boom aircraft increased slightly over that from the undeformed geometry for both undertrack and offtrack angles. Ground noise sensitivities to uncertainties in near field conditions and structural parameters varied significantly with atmospheric profiles. Shifts in confidence interval width in addition to shifts in deterministic values of ground noise were observed while varying atmospheric conditions.

Phillips, Benjamin D.↗

Formulations and analysis of Compton scattering for deterministic thermal radiation transport

In high-energy-density physics at low densities and high temperatures, Compton scattering can be the dominant interaction mechanism between thermal radiation and the material. Boson statistics leads to induced scattering, where the rate of scattering is proportional to the square of the photon intensity. To explore the importance of this nonlinear effect in the context of thermal radiative transfer, in this work we formulate several linear approximations to the scattering rate and compare them to the proper nonlinear rate in an infinite-medium setting. With the goal of implementing Compton scattering in a radiation transport code, we study heating-rate accuracy and iterative convergence properties for the linear methods as we vary the fidelity of the discretization in photon frequency. We find the equilibrium out-scattering formulation to be the most accurate linear method, with heating rate errors around 15% when the radiation is heating the material and up to 50% when the radiation is cooling the material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sensitivity Calculations for Systems with Polyethylene Reflector Materials Using CLUTCH

The SCALE 6.2.4 code package contains four sequences for calculating $k_{eff}$ sensitivity coefficients. Two of these sequences use deterministic transport solvers: a one-dimensional (1D) capability based on XSDRN, and a two-dimensional (2D) capability based on NEWT. These sequences are restricted to the multigroup (MG) treatment of neutron energy. The three-dimensional (3D) sequences use the KENO V.a or KENO-VI Monte Carlo transport codes and can be used to calculate sensitivity coefficients with either MG or continuous-energy (CE) transport. The 3D sensitivities are ultimately reported in an MG structure, regardless of the method used in the transport calculations. If desired, the sensitivity coefficients can be reported with very fine energy resolution from a CE calculation, but they are calculated only in the MG library structure in the MG mode. CE TSUNAMI methods are available in SCALE starting in SCALE version 6.2. Sensitivity coefficients were generated using the 3D sequences as part of the generation of the SCALE 6.2.2 Validation Report; difficulties encountered when using the CLUTCH method for thick, fissionable-material reflectors were discussed and investigated as documented in a previous paper. This paper discusses the difficulties encountered in generating accurate sensitivity coefficients using the CLUTCH technique for polyethylene reflectors for two fast spectrum benchmarks. Direct perturbation (DP) calculations were performed to confirm the accuracy of the total sensitivity coefficient for important isotopes with large sensitivities in the system. Discrepancies were detected for CLUTCH-calculated sensitivity coefficients in the reflector of a critical experiment with a radial polyethylene reflector. A simple polyethylene-reflected plutonium sphere was then used to further investigate the discrepancy. Calculations performed using the iterated fission probability (IFP) method generated accurate sensitivity coefficients in both cases. The results of this study emphasize the need to confirm CLUTCH sensitivity results with DP calculations. IFP calculations are generally less efficient but more reliable than CLUTCH calculations. Improvements to the CLUTCH methodology that retain the greater efficiency but address identified difficulties are therefore potentially useful to analysts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tutorial: Langevin Dynamics methods for aerosol particle trajectory simulations and collision rate constant modeling

The Langevin Dynamics (LD) method (also known in the literature as Brownian Dynamics) is routinely used to simulate aerosol particle trajectories for transport rate constant calculations as well as to understand aerosol particle transport in internal and external fluid flows. This tutorial intends to explain the methodological details of setting up a LD simulation of a population of aerosol particles and to deduce rate constants from an ensemble of classical trajectories. We discuss the applicability and limitations of the translational Langevin equation to model the combined stochastic and deterministic motion of particles in fields of force or fluid flow. The drag force and stochastic “diffusion” force terms that appear in the Langevin equation are discussed elaborately, along with a summary of common forces relevant to aerosol systems (electrostatic, gravity, van der Waals, …); a commonly used first order and a fourth order Runge-Kutta time stepping schemes for linear stochastic ordinary differential equations are presented. A MATLAB® implementation of a LD code for simulating particle settling under gravity using the first order scheme is included for illustration. Scaling analysis of aerosol transport processes and the selection of timestep and domain size for trajectory simulations are demonstrated through two specific aerosol processes: particle diffusion charging and coagulation. Fortran® implementations of the first order and fourth order time-stepping schemes are included for simulating the 3D motion of a particle in a periodic domain. Lastly, potential applications and caveats to the usage of LD are included as a summary.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improvement of transport-corrected scattering stability and performance using a Jacobi inscatter algorithm for 2D-MOC

The MPACT code, being developed collaboratively by the University of Michigan and Oak Ridge National Laboratory, is the primary deterministic neutron transport solver being deployed within the Virtual Environment for Reactor Applications (VERA) as part of the Consortium for Advanced Simulation of Light Water Reactors (CASL). In many applications of the MPACT code, transport-corrected scattering has proven to be an obstacle in terms of stability, and considerable effort has been made to try to resolve the convergence issues that arise from it. Most of the convergence problems seem related to the transport-corrected cross sections, particularly when used in the 2D method of characteristics (MOC) solver, which is the focus of this work. Here in this paper, the stability and performance of the 2-D MOC solver in MPACT is evaluated for two iteration schemes: Gauss-Seidel and Jacobi. With the Gauss-Seidel approach, as the MOC solver loops over groups, it uses the flux solution from the previous group to construct the inscatter source for the next group. Alternatively, the Jacobi approach uses only the fluxes from the previous outer iteration to determine the inscatter source for each group. Consequently for the Jacobi iteration, the loop over groups can be moved from the outermost loop$-$as is the case with the Gauss-Seidel sweeper$-$to the innermost loop, allowing for a substantial increase in efficiency by minimizing the overhead of retrieving segment, region, and surface index information from the ray tracing data. Several test problems are assessed: (1) Babcock & Wilcox 1810 Core I, (2) Dimple S01A-Sq, (3) VERA Progression Problem 5a, and (4) VERA Problem 2a. The Jacobi iteration exhibits better stability than Gauss-Seidel, allowing for converged solutions to be obtained over a much wider range of iteration control parameters. Additionally, the MOC solve time with the Jacobi approach is roughly 2.0-2.5× faster per sweep. While the performance and stability of the Jacobi iteration are substantially improved compared to the Gauss-Seidel iteration, it does yield a roughly 8$-$10% increase in the overall memory requirement.

97 MATHEMATICS AND COMPUTING↗

Federated Deep Reinforcement Learning for Decentralized VVO of BTM DERs

The future of grid control requires a hybrid approach combining centralized and decentralized methods to fully utilize the potential of smart edge devices with artificial intelligence (AI) capabilities. This paper aims to develop and evaluate a federated deep reinforcement learning (FDRL) framework for decentralized adaptive volt-var optimization (VVO) of behind-the-meter (BTM) distributed energy resources (DERs). First, this paper models a single deep reinforcement learning (DRL) agent using the Markov Decision Process (MDP) framework for decentralized adaptive VVO of BTM DERs. Two DRL algorithms, soft actor-critic (SAC) and twin-delayed deep deterministic policy gradient (TD3), are compared for their effectiveness in optimizing VVO. Results show that TD3 outperforms SAC, achieving a 71.3% improvement in mean reward. Finally, the DRL agent is deployed within the FDRL framework, using the Flower platform, to enhance learning, provide adaptive control, and ensure data privacy for BTM DERs.

Ravi, Abhijith↗

Towards Improved Understanding of the Applicability of Uncertainty Forecasts in the Electric Power Industry

Around the world wind energy is starting to become a major energy provider in electricity markets, as well as participating in ancillary services markets to help maintain grid stability. The reliability of system operations and smooth integration of wind energy into electricity markets has been strongly supported by years of improvement in weather and wind power forecasting systems. Deterministic forecasts are still predominant in utility practice although truly optimal decisions and risk hedging are only possible with the adoption of uncertainty forecasts. One of the main barriers for the industrial adoption of uncertainty forecasts is the lack of understanding of its information content (e.g., its physical and statistical modeling) and standardization of uncertainty forecast products, which frequently leads to mistrust towards uncertainty forecasts and their applicability in practice. Our paper aims at improving this understanding by establishing a common terminology and reviewing the methods to determine, estimate, and communicate the uncertainty in weather and wind power forecasts. This conceptual analysis of the state of the art highlights that: (i) end-users should start to look at the forecast's properties in order to map different uncertainty representations to specific wind energy-related user requirements; (ii) a multidisciplinary team is required to foster the integration of stochastic methods in the industry sector. Furthermore, a set of recommendations for standardization and improved training of operators are provided along with examples of best practices.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Exact state reconstruction in deterministic digital control systems

A state reconstructor for deterministic digital systems is presented which is ideal in the following sense: if the plant parameters are known exactly, the output of the state reconstructor will exactly equal the true state of the plant, not just approximate it. Furthermore, this ideal state reconstructor adds no additional states or eigenvalues to the system. Nor does it affect the plant equation for the system in any way; it affects only the measurement equation. While there are countless ways of choosing the ideal state reconstructor parameters, two distinct methods are described here. An example is presented which illustrates the procedures to completely design the ideal state reconstructor using both methods.

Polites, Michael E.↗

Analysis of relativistic nucleus-nucleus interactions in emulsion chambers

The development of a computer-assisted method is reported for the determination of the angular distribution data for secondary particles produced in relativistic nucleus-nucleus collisions in emulsions. The method is applied to emulsion detectors that were placed in a constant, uniform magnetic field and exposed to beams of 60 and 200 GeV/nucleon O-16 ions at the Super Proton Synchrotron (SPS) of the European Center for Nuclear Research (CERN). Linear regression analysis is used to determine the azimuthal and polar emission angles from measured track coordinate data. The software, written in BASIC, is designed to be machine independent, and adaptable to an automated system for acquiring the track coordinates. The fitting algorithm is deterministic, and takes into account the experimental uncertainty in the measured points. Further, a procedure for using the track data to estimate the linear momenta of the charged particles observed in the detectors is included.

Mcguire, Stephen C.↗