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At least 1,711 records · Page 95

Boundary twists, instabilities, and creation of skyrmions and antiskyrmions

We formulate and study the general boundary conditions dictating the magnetization profile in the vicinity of an interface between magnets with dissimilar properties. We show that in general case the boundary conditions lead to the magnetization profile corresponding to the Néel, Bloch, or intermediate twist. We explore how such twists can be utilized for creation of skyrmions and antiskyrmions, e.g., in a view of magnetic memory applications. To this end, we study various scenarios of how skyrmions and antiskyrmions can be created from interface magnetization twists due to local instabilities. We also show that a judicious choice of Dzyaloshinskii-Moriya tensor (hence a carefully designed material) can lead to local instabilities generating certain types of skyrmions or antiskyrmions. The local instabilities are shown to appear in solutions of the Bogoliubov-de-Gennes equations describing ellipticity of magnon modes bound to interfaces. In one considered scenario, a skyrmion-antiskyrmion pair can be created due to instabilities at an interface between materials with properly engineered Dzyaloshinskii-Moriya interactions. Furthermore, we use micromagnetics simulations to confirm our analytical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

1:52 Scale Testing of the First US Commercial Scale Floating Wind Turbine, VolturnUS: Testing Overview and the Evolution of Scale Model Testing Methods

Over the past 6 years, the University of Maine (UMaine) has been an active contributor in research and scale-model testing of floating offshore wind turbines (FOWTs). This paper serves to share the evolution of UMaine’s scale-model testing pedigree by exploring the various test campaigns at a high level, culminating with the design validation of the VolturnUS floating platform. These model test campaigns have each provided key insights into the behavior of FOWT platforms as well as improving the ability to perform model tests of FOWTs. In 2011, the UMaine-led DeepCwind Consortium carried out 1/50-scale model tests of a generic tension leg platform (TLP), a semi-submersible (semi), and a spar-buoy (spar) floating platform at the Maritime Research Institute Netherlands (MARIN) test facility. The designs were Froude-scaled and supported a scaled version of the 5-MW National Renewable Energy Laboratory (NREL) offshore research turbine. Data from these tests has been used extensively for numerical simulation validation efforts using NREL’s computer-aided engineering software FAST and laid the foundation for UMaine’s design efforts on VolturnUS. In 2013, UMaine conducted another test campaign at MARIN using the original semi-submersible from 2011 with an improved turbine as well as a 1:50-scale model of the VolturnUS concrete semi-submersible design. The improved DeepCwind semi-submersible data is currently being utilized in the validation of a large number of other analysis codes as part of the International Energy Agency’s OC5 project. In 2015, UMaine opened its own Wind/Wave test facility, the Alfond Wind/Wave Ocean Engineering Laboratory (W2). Utilizing this new facility, UMaine tested the 1:50-scale model DeepCwind semi-submersible, repeating the tests from MARIN, to validate the experimental equipment and procedures as well as demonstrate the capability of the W2. In 2016 UMaine carried out testing of a 1:52-scale model of the 100% design of the VolturnUS with a 6-MW topside as a final design validation to support the US Department of Energy-supported, full-scale Aqua Ventus demonstration project scheduled to be connected to the grid in 2019. A newly designed 6-MW scale model turbine was used in this test and the performance-matched turbine design methodology is described. Selected results from the test campaign and preliminary numerical comparisons are discussed as well as key lessons learned from the model test campaigns are presented.

17 WIND ENERGY↗

Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel

Abstract The growth and interconnection of fission gas bubbles in the hotter central regions of U-(Pu)-Zr nuclear fuel has been simulated with a phase-field model. The Cahn-Hilliard equation was used to represent the two-phase microstructure, with a single defect species. The volume fraction of the bubble phase and surface area of the bubble-matrix interface were determined during growth and interconnection. Surface area increased rapidly during the initial stages of growth, then slowed and finally decreased as bubble interconnection began and coarsening acted to reduce surface area. The fraction of the bubbles vented to a simulation domain boundary, f V , was quantified as a measure of the microstructure’s interconnectivity and plotted as a function of porosity p . The defect species diffusivity was varied; although changes in diffusivity significantly affected the microstructure, the plots of f V vs. p did not change significantly. The percolation threshold p c was calculated to be approximately 0.26, depending on the assumed diffusivity and using an initial bubble number density based on experimental observations. This is slightly smaller than the percolation threshold for continuum percolation of overlapping 3D spheres. The simulation results were used to parameterize two different engineering-scale swelling models for U-(Pu)-Zr in the nuclear fuel performance code BISON.

Aagesen, Larry K. (ORCID:000000034936676X)↗

Ablative Richtmyer-Meshkov Experiments

Figure 1 shows a schematic of experimental setup for nonlinear Richtmyer-Meshkov (RM) instability experiments on OMEGA. Planar 15, 30, and 50-μm-thick CH targets were driven with three UV beams using a 6-ns square pulse shape, total energy of ~0.7 kJ, and laser intensity of ~5x10 13 W/cm 2 . Initial target modulations were imposed by laser imprinting using a beam with a special 2D phase plate with modulation wavelength of ~70 microns. The timing of this beam was advanced by ~200 ps, relative to other drive beams that have regular SG distributed phase plates (DPP’s). Figure 2 shows laser beam images, with SG4 DPP, and with a special 2D DPP. Growth of target modulations was measured with x-ray radiography using uranium (~1.3 keV), samarium (~1.8 keV), and tantalum (~2.2 keV) backlighters on a framing camera with 10-μm spatial resolution and 80-ps temporal resolution. Backlighter targets were driven with 2-ns square pulse shape and intensity of ~3x10 14 W/cm 2 using seven additional UV beams. Figure 3 shows an example of measured image at 1.1 ns (near the end of RM phase) taken with 50-μm thick CH foil and tantalum backlighter. Evolution of 2D broadband modulations was observed in RM phase for all target types during a shock transit time before beginning of acceleration and subsequent RT growth. Figure 4 summarizes areal-density evolution of 2D modulation at wavelength of 70 μm for 30-μm and 50-μm thick foils and compares data with predictions of 2D hydro code DRACO. Vertical dashed lines show expected times at the end of RM phase and beginning of the RT phase for these types of foils. Blue data points and curves correspond to 30-μm thick foils, while black curves and data points are for 50-μm-thick foils. Areal density modulations grow throughout RM phase, their evolution is similar to code predictions, validating the simulations.

42 ENGINEERING↗

Modeling Primary Atomization of Liquid Fuels using a Multiphase DNS/LES Approach

As part of a Laboratory Directed Research and Development project, we are developing a modeling-and-simulation capability to study fuel direct injection in automotive engines. Predicting mixing and combustion at realistic conditions remains a challenging objective of energy science. And it is a research priority in Sandia’s mission-critical area of energy security, being also relevant to many flows in defense and climate. High-performance computing applied to this non-linear multi-scale problem is key to engine calculations with increased scientific reliability.

33 ADVANCED PROPULSION SYSTEMS↗

Developing a novel hierarchical approach for multiscale structural reliability predictions for ultra-high consequence applications

Microstructural variabilities are among the predominant sources of uncertainty in structural performance and reliability. We seek to develop efficient algorithms for multiscale calcu- lations for polycrystalline alloys such as aluminum alloy 6061-T6 in environments where ductile fracture is the dominant failure mode. Our approach employs concurrent multiscale methods, but does not focus on their development. They are a necessary but not sufficient ingredient to multiscale reliability predictions. We have focused on how to efficiently use concurrent models for forward propagation because practical applications cannot include fine-scale details throughout the problem domain due to exorbitant computational demand. Our approach begins with a low-fidelity prediction at the engineering scale that is sub- sequently refined with multiscale simulation. The results presented in this report focus on plasticity and damage at the meso-scale, efforts to expedite Monte Carlo simulation with mi- crostructural considerations, modeling aspects regarding geometric representation of grains and second-phase particles, and contrasting algorithms for scale coupling.

36 MATERIALS SCIENCE↗

Microgrid Energy Management System Integration with Advanced Distribution Management System

The Integrated Distribution Management System (IDMS) project was initiated to demonstrate the interactive operation of microgrid systems and the distribution systems with which they interconnect. The key technologies for this are the microgrid management system and the utility distribution management system. The IDMS project successfully demonstrated that a utility’s advanced distribution management system/distributed energy resources management system (ADMS/DERMS) could effectively manage microgrids to provide visibility and control functionalities as well as use the microgrid as a dispatchable resource to support the utility grid. The DERMS accomplishes this by determining active and reactive power needs at the point of common coupling (PCC) using advanced applications like volt/VAR watt optimization (VVWO) and load relief (LR) with the underlying core applications state estimation (SE) and load flow (LF). The ADMS/DERMS can use the microgrid as a resource to resolve and prevent violations in the grid and to optimize the operational working state of the grid. The IDMS project demonstrated that a utility-operated ADMS with embedded DERMS functionality can flexibly manage a variety of microgrids and other aggregated distributed energy resources (DER) in concert with the wider distribution grid. Microgrids can provide grid services in any number of different ways to meet the operational needs of the distribution utility. The manner of aggregation — microgrid or virtual power plant — is not necessarily relevant to the utility as long as the grid services from the aggregated DER are available and can be managed by its ADMS/DERMS for the stability and reliability of the grid. The IDMS project demonstrated this integrated ADMS concept by combining hardware/software-in-the-loop testing with commercial products from different vendors and a utility’s network model. The project integrated the Schneider Electric EcoStruxure™ ADMS with DERMS with the Schweitzer Engineering Laboratories (SEL) POWERMAX ® Microgrid Control System, and the simulated resources with energy company PECO’s model of a utility-owned microgrid, establishing an operational relationship in which the utility manages the operational functionality of a microgrid at the PCC and that provides the utility with the capability to control the comprehensive power system, inclusive of the macrogrid and microgrid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Experimental Procedure and Results for Contact Thermal Conductance Measurements performed during FY 2021

Weapons Test Engineering groups at LANL are responsible for testing and simulating weapon assemblies and subassemblies in support of qualification and certification of nuclear weapon systems. The complex nature of the assemblies themselves coupled with the loading environments, gives rise to low confidence and high uncertainties in the interpretation of both experimental and simulated results. In an effort to reduce these uncertainties, a project was started at LANL to perform focused and systematic experiments combined with simulations to increase confidence in both arenas. A key goal of the work performed under the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests TRUST program, focuses on identifying and minimizing sources of uncertainty associated with experimental and computational techniques. Specifically, with the above as motivation, a measurement procedure was developed by MST-8 to perform thermal conductivity measurements on cylinders of both similar and dissimilar metallic systems as a function of loading conditions and varying material interface morphologies between these components.

36 MATERIALS SCIENCE↗

Near-Term Application Engineering Challenges in Emerging Superconducting Qudit Processors

We review the prospects to build quantum processors based on superconducting transmons and radiofrequency cavities for testing applications in the NISQ era. We identify engineering opportunities and challenges for implementation of algorithms in simulation, combinatorial optimization, and quantum machine learning in qudit-based quantum computers.

Venturelli, Davide [RIACS, Mtn. View] (ORCID:00000↗

Efficient Public-key Revocation Management for Secure Smart Meter Communications using One-way Cryptographic Accumulators

Advanced Metering Infrastructure (AMI) forms a communication network for the collection of power data from smart meters in Smart Grid. As the communication within an AMI needs to be secure, public-key cryptography can be used to reduce the overhead of key management. However, it still has certain challenges in terms of certificate revocation and management. In particular, distribution and storage of the Certificate Revocation List (CRL), which holds the revoked certificates, is a major challenge due to its overhead. To address this challenge, in this paper, we propose a novel revocation management scheme by utilizing cryptographic accumulators which not only reduces the space requirements for revocation information but also enables convenient distribution of revocation information to all smart meters. We implemented this oneway cryptographic accumulator-based revocation scheme on ns-3 using IEEE 802.11s mesh standard as a model for AMI and demonstrated its superior performance with respect to traditional methods of CRL management through extensive simulations.

42 ENGINEERING↗

Addressing Uncertainty in MultiSector Dynamics Research

MultiSector Dynamics (MSD) research explores the dynamics and co-evolutionary pathways of human and Earth systems and the emerging interdependent sectors of energy, water, agriculture, and transportation among others. The interactions between these sectors are central to MSD science, as they capture how processes and feedbacks across Earth, environmental, infrastructure, and societal systems shape transitions, socioeconomic risks, and the provision of services. By definition, MSD research requires deep integration across diverse scientific disciplines, ranging from the natural to the social sciences and engineering. All these disciplines apply a variety of numerical simulation models to study and understand their underlying systems of focus. The utility of these models hinges on the fidelity with which they represent the real systems and their ability to produce novel insights about systems and their interactions. The coupled human-natural systems typically represented are shaped by a multitude of interdependent human and natural processes which, when modeled, translate to highly complex, non-linear, interacting behaviors. This ever-increasing complexity massively expands the uncertainty space of a model and can be found in model inputs, processes and parameters. This is further amplified when several models are combined to answer multisectoral questions, as additional uncertainty regarding coupling relationships and interactions is introduced.

IM3, Uncertainty and Sensitivity Analysis, multise↗

The Synergy Between Total Scattering and Advanced Simulation Techniques: Quantifying Geopolymer Gel Evolution

With the ever increasing demands for technologically advanced structural materials, together with emerging environmental consciousness due to climate change, geopolymer cement is fast becoming a viable alternative to traditional cements due to proven mechanical engineering characteristics and the reduction in CO2 emitted (approximately 80% less CO2 emitted compared to ordinary Portland cement). Nevertheless, much remains unknown regarding the kinetics of the molecular changes responsible for nanostructural evolution during the geopolymerization process. Here, in-situ total scattering measurements in the form of X-ray pair distribution function (PDF) analysis are used to quantify the extent of reaction of metakaolin/slag alkali-activated geopolymer binders, including the effects of various activators (alkali hydroxide/silicate) on the kinetics of the geopolymerization reaction. Restricting quantification of the kinetics to the initial ten hours of reaction does not enable elucidation of the true extent of the reaction, but using X-ray PDF data obtained after 128 days of reaction enables more accurate determination of the initial extent of reaction. The synergies between the in-situ X-ray PDF data and simulations conducted by multiscale density functional theory-based coarse-grained Monte Carlo analysis are outlined, particularly with regard to the potential for the X-ray data to provide a time scale for kinetic analysis of the extent of reaction obtained from the multiscale simulation methodology.

36 MATERIALS SCIENCE↗

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets—Part I: Mesoscale simulations

Recently a mesoscale model was developed that includes thermomechanically consistent constitutive equations with dissipation due to porous compaction, inelastic distortional deformation rate, and slipping on persistent dry joint surfaces. In this Part I of a two-part paper, we describe enhancements of the mesoscale model which include: normal compliance with hysteresis, non-persistent joints with finite area, joint sets with angular deviation, and the weakening effect of fluid pressure in the joints. Examples study the influences of these effects on average strength. These computationally expensive simulations are used to inspire functional forms in a continuum model, described in Part II, which is needed for large scale simulations of real applications.

42 ENGINEERING↗

A method for data handling numerical results in parallel OpenFOAM simulations

Parallel computational fluid dynamics simulations produce vast amount of numerical result data. This paper introduces a method for reducing the size of the data by replaying the interprocessor traffic. The results are recovered only in certain regions of interest configured by the user. A known test case is used for several mesh partitioning scenarios using the OpenFOAM toolkit{sup ®}[1]. The space savings obtained with classic algorithms remain constant for more than 60 Gb of floating point data. Our method is most efficient on large simulation meshes and is much better suited for compressing large scale simulation results than the regular algorithms.

42 ENGINEERING↗

Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations

To achieve tunable controls on the interactions of siliceous materials in subsurface environments bearing water and hydrocarbons, it is essential to determine the influence of hydrocarbon–water interfaces on the self-assembly of the silica particles. The hydrophilic silica particle have a tendency to aggregate on the water front of the interface. Self-assembly of silica nanoparticles proceeds via the migration of these nanoparticles to the water–hydrocarbon interface followed by aggregation at the interface. Fractal-like morphologies of assembled silica nanoparticles at water–hydrocarbon interfaces are observed. Rapid assembly of the hydrophilic silica nanoparticles at water–hydrocarbon interfaces corresponds to an overall reduction in the surface tension of water–toluene and water–heptane systems. These studies demonstrate the silica aggregation that is the precursor of silica polymerization, or nucleation and growth is influenced by the presence of hydrocarbons in subsurface geologic environments. These insights were derived from in operando ultrasmall and small-angle X-ray scattering (USAXS/SAXS) measurements, cryo-scanning electron microscopy (Cryo-SEM) imaging, and classical molecular dynamics simulations. As a result, these studies are intended to inform current and future efforts aimed at tuning silica reactivity in subsurface geologic environments to enhance permeability, the design and use of silica-based proppants to enhance fractures, and the development of effective strategies to control silica-based scaling behavior in subsurface reservoirs.

42 ENGINEERING↗

Analytical Models for Terry Turbine Nozzle

As part of the efforts to understand the unexpected 'self-regulating' mode of the RCIC (Reactor Core Isolation Cooling) systems in Fukushima accidents and extend BWR RCIC and PWR AFW (Auxiliary Feed Water) operational range and flexibility, mechanistic models for the Terry turbine should be developed and implemented in reactor system analysis or severe accident codes. The Terry turbine has been used for all the BWR RCIC systems and for PWR AFW (Auxiliary Feed Water) systems. The Terry turbine is essentially a solid cylindrical wheel with multiple machined semi-circular 'buckets' that are shaped into the body of the wheel. Fixed nozzles and reversing chambers surround the wheel inside the turbine casing. High pressure steam is accelerated to supersonic flow inside the turbine nozzle. The kinetic energy is then converted to shaft work by the impulse force on the turbine buckets. A Fully implicit and strongly coupled RCIC system model has been developed in the RELAP-7 code and used for simplified BWR SBO (Station Black-Out) simulations in the past. In this model, a generic turbine model was used to conserve mass and energy while turbine operation characteristic curves were used to obtain non-dimensional mass flow rate and thermal efficiency. This model could be used for simulating RCIC off-design behavior if off-design operation characteristic curves were available. However, No such curves currently exist for the Terry turbine system due to its unique pure impulse design. A set of mechanistic Terry turbine models suitable for system code implementation has recently been developed by Sandia National Labs. In the Sandia model, the turbine bucket inlet velocity is provided according to a reduced-order model which was obtained from a large number of CFD simulations. In this paper, we propose an alternative method, using an under-expanded jet model to obtain the velocity and thermodynamic conditions for the turbine bucket inlet. These sets of analytical models are simple and generic, and suitable for use in system analysis codes. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Plasma Science and Innovation Center (PSI-Center) at Washington, Wisconsin, and Utah State, ARRA Supplement

The objective of the Plasma Science and Innovation Center (PSI-Center) is to develop and deploy computational models that simulate conditions in smaller, concept-exploration plasma experiments. The PSIC group at the University of Wisconsin-Madison, led by Prof. Carl Sovinec, uses and enhances the Non-Ideal Magnetohydrodynamics with Rotation, Open Discussion (NIMROD) code, to simulate macroscopic plasma dynamics in a number of magnetic confinement configurations. These numerical simulations provide information on how magnetic fields and plasma flows evolve over all three spatial dimensions, which supplements the limited access of diagnostics in plasma experiments. The information gained from simulation helps explain how plasma evolves. It is also used to engineer more effective plasma confinement systems, reducing the need for building many experiments to cover the physical parameter space. The ultimate benefit is a more cost-effective approach to the development of fusion energy for peaceful power production. The supplemental funds provided by the American Recovery and Reinvestment Act of 2009 were used to purchase computer components that were assembled into a 48-core system with 256 Gb of shared memory. The system was engineered and constructed by the group's system administrator at the time, Anthony Hammond. It was successfully used by then graduate student, Dr. John O'Bryan, for computing magnetic relaxation dynamics that occur during experimental tests of non-inductive startup in the Pegasus Toroidal Experiment (pegasus.ep.wisc.edu). Dr. O'Bryan's simulations provided the first detailed explanation of how the driven helical filament of electrical current evolves into a toroidal tokamak-like plasma configuration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct numerical simulations in solid mechanics for quantifying the macroscale effects of microstructure and material model-form error

Two fundamental approximations in macroscale solid-mechanics modeling are (1) the assumption of scale separation in homogenization theory and (2) the use of a macroscopic plasticity material model that represents, in a mean sense, the multitude of inelastic processes occurring at the microscale. With the goal of quantifying the errors induced by these approximations on engineering quantities of interest, we perform a set of direct numerical simulations (DNS) in which polycrystalline microstructures are embedded throughout a macroscale structure. The largest simulations model over 50,000 grains. The microstructure is idealized using a randomly close-packed Voronoi tessellation in which each polyhedral Voronoi cell represents a grain. An face centered cubic crystal-plasticity model is used to model the mechanical response of each grain. The overall grain structure is equiaxed, and each grain is randomly oriented with no overall texture. The detailed results from the DNS simulations are compared to results obtained from conventional macroscale simulations that use homogeneous isotropic plasticity models. The macroscale plasticity models are calibrated using a representative volume element of the idealized microstructure. Furthermore, we envision that DNS modeling will be used to gain new insights into the mechanics of material deformation and failure.

36 MATERIALS SCIENCE↗