Collisions of False-Vacuum Bubble Walls in a Quantum Spin Chain
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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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Results for “stabilization method”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Instability Effects in F(R)-Modified Gravity and in Gravitational Baryogenesis
The review is devoted to the development and subsequent application of methods for studying the stability of solutions of higher-order differential equations arising in various models of modified gravity and baryosynthesis. Major attention is paid to F (R )-modified theories proposed to describe the accelerated expansion of the universe and to baryon asymmetry generation in the framework of the spontaneous and gravitational baryogenesis.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Scalable Preconditioners for Structure Preserving Discretizations of Maxwell Equations in First Order Form
Here, we report multiple physical time-scales can arise in electromagnetic simulations when dissipative effects are introduced through boundary conditions, when currents follow external time-scales, and when material parameters vary spatially. In such scenarios, the time-scales of interest may be much slower than the fastest time-scales supported by the Maxwell equations, therefore making implicit time integration an efficient approach. The use of implicit temporal discretizations results in linear systems in which fast time-scales, which severely constrain the stability of an explicit method, can manifest as so-called stiff modes. This study proposes a new block preconditioner for structure preserving (also termed physics compatible) discretizations of the Maxwell equations in first order form. The intent of the preconditioner is to enable the efficient solution of multiple-time-scale Maxwell type systems. An additional benefit of the developed preconditioner is that it requires only a traditional multigrid method for its subsolves and compares well against alternative approaches that rely on specialized edge-based multigrid routines that may not be readily available. Lastly, results demonstrate parallel scalability at large electromagnetic wave CFL numbers on a variety of test problems.
97 MATHEMATICS AND COMPUTING↗
CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches
CD40 is a 48 kDa type I transmembrane protein that is constitutively expressed on hematopoietic cells such as dendritic cells, macrophages, and B cells. Engagement of CD40 by CD40L expressed on T cells results in the production of proinflammatory cytokines, induces T helper cell function, and promotes macrophage activation. The involvement of CD40 in chronic immune activation has resulted in CD40 being proposed as a therapeutic target for a range of chronic inflammatory diseases. CD40 antagonists are currently being explored for the treatment of autoimmune diseases and several anti-CD40 agonist mAbs have entered clinical development for oncological indications. To better understand the mode of action of anti-CD40 mAbs, we have determined the x-ray crystal structures of the ABBV-323 (anti-CD40 antagonist, ravagalimab) Fab alone, ABBV-323 Fab complexed to human CD40 and FAB516 (anti-CD40 agonist) complexed to human CD40. These three crystals structures 1) identify the conformational CD40 epitope for ABBV-323 recognition 2) illustrate conformational changes which occur in the CDRs of ABBV-323 Fab upon CD40 binding and 3) develop a structural hypothesis for an agonist/antagonist switch in the LCDR1 of this proprietary class of CD40 antibodies. The structure of ABBV-323 Fab demonstrates a unique method for antagonism by stabilizing the proposed functional antiparallel dimer for CD40 receptor via novel contacts to LCDR1, namely residue position R32 which is further supported by a closely related agonist antibody FAB516 which shows only monomeric recognition and no contacts with LCDR1 due to a mutation to L32 on LCDR1. These data provide a structural basis for the full antagonist activity of ABBV-323.
59 BASIC BIOLOGICAL SCIENCES↗
Stable tuning of photorefractive microcavities using an auxiliary laser
Cavity nonlinear optics enables intriguing physical phenomena to occur at micro- or nano-scales with modest input powers. While this enhances capabilities in applications such as comb generation, frequency conversion, and quantum optics, undesired nonlinear effects including photorefraction and thermal bistability are exacerbated. In this Letter, we propose and demonstrate a highly effective method of achieving cavity stabilization using an auxiliary laser for controlling photorefraction in a z-cut periodically poled lithium niobate (LN) microcavity system. Our numerical study accurately models the photorefractive effect under high input powers, guiding future analyses and development of LN microcavity systems.
42 ENGINEERING↗
Project on Nuclear Gaming: Investigating the Impact of Nuclear Weapons Capabilities on Deterrence: May 2-3, 2018 Workshop Summary
In the future, it may be possible for states to construct nuclear weapons with alternative effects that are optimized for specific military purposes. These nuclear weapon concepts might employ features such as enhanced radiation outputs (ER), electromagnetic pulse (EMP), or other approaches such as high-precision, low-yield systems (HPLY) that reduce collateral damage, but improve lethality to targets. Some have speculated that such weapons could have the effect of lowering the threshold of use for nuclear weapons by reducing the negative incentives to their use or by providing new military applications for nuclear weapons. A nuclear arsenal that includes weapons with alternate effect regimes may also have an impact on the calculus of escalation in a conflict scenario. This project of the University of California, Berkeley (UCB), Sandia National Laboratories (SNL), and Lawrence Livermore National Laboratory (LLNL) investigates the potential impacts of alternate nuclear weapons effects regimes on deterrence and strategic stability using experimental gaming methods. The purpose of this document is to capture the research questions, assumptions, scenario characteristics, and other details that provide the framework used to address this challenge presented during the first workshop discussion hosted by the Center for Global Security Research at LLNL with subject matter experts from government, academia, and the private sector. The report also summarizes feedback from participants. Topics discussed during the workshop included alternative effects of nuclear weapons, existing approaches for modeling and measuring conflict, and the state of the art in experimental game design.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
One-Step Spark Plasma Erosion Processing of Carbon-Coated Sn-Si Nanoparticles for Lithium-Ion Battery Anodes
High density portable energy storage is desirable owing to the energy requirements of portable electronics and electric vehicles. The Li-ion battery’s high energy density could be even further improved through the utilization of alternative materials (instead of carbon) for the anode, such as Sn or Si. Nonetheless, the large volume expansion upon lithiation, up to ~300% for Li 22 Si 5 , causes pulverization and rapid capacity degradation during cycling. Sn also forms a Li 22 Sn 5 compound with the equivalent stoichiometric Li capacity but with enhanced ductility. Nano-sized Si and Sn have demonstrated distinctive nanoscale properties, facilitating the retention of higher capacities, particularly when coated with carbon, which improves mechanical stability. To date, the methods of synthesizing coated Si, Sn, or Si-Sn alloyed nanoparticles are complicated, costly, and not readily scalable to meet the demands of cost-effective manufacturing. Spark plasma erosion in a hydrocarbon dielectric has been explored as a one-step process to produce Sn-Si alloy nanoparticles coated with a thin carbon film, offering a scalable and cost-effective processing route. The resulting Sn-Si particles exhibited a bi-modal size distribution at ~5 nm and ~500 nm and were carbon-coated, as intended, from the hydrocarbon dielectric breakdown. The spark-eroded nanoparticles were thoroughly characterized using TEM/EDS, XPS, AES, SSNMR, and TGA, and their improved electrochemical performance was assessed through half-cell experiments.
25 ENERGY STORAGE↗
Fission Product Diffusion in Silicon Carbide: As Revealed by Computer Simulations and Experimental Measurements
The diffusion and release of fission products through silicon carbide in the tri-structural isotropic (TRISO) fuel particles remain unsolved for decades. The underlying mechanism is quite challenging to be determined. To help unveil the mysterious story, the current work applies molecular dynamics method to show the stability of silver, palladium, ruthenium and iodine as an interstitial and their atomic diffusion along coincident site lattice (CSL) boundary, especially ?3 grain boundary (GB). The major finding presents a much faster diffusion along GB than in bulk for all elements considered. The reasonably close estimate to experiments and simulations where available has confirmed the important role of grain boundary diffusion of Ag and Pd in SiC. However, the discrepancy addressed in Ag with measurements from fuel studies suggest a more complicated mechanism, which might be in correlation with high energy grain boundaries or the presence of crack. The subsequent characterization of Ru and I distribution in SiC-PyC-SiC diffusion couples, which have been ion irradiated at 900?C to 10 dpa and 20 dpa, has performed by secondary ion mass spectrometry (SIMS) analysis. The experiment measurements correlate well with the grain boundary diffusion by simulation, which provide further evidences that the grain boundary diffusion cannot be neglected once the fission products are accessible at the grain boundary.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Stability analysis and discretization of A –$Φ$ time domain integral equations for multiscale electromagnetics
The growth of applications at the intersection between electromagnetic and quantum physics is necessitating the creation of novel computational electromagnetic solvers. Work in this paper presents a new set of time domain integral equations (TDIEs) formulated directly in terms of the magnetic vector and electric scalar potentials that can be used to meet many of the requirements of this emerging area. Stability for this new set of TDIEs is achieved by leveraging an existing rigorous functional framework that can be used to determine suitable discretization approaches to yield stable results in practice. The basics of this functional framework are reviewed before it is shown in detail how it may be applied in developing the TDIEs of this work. Numerical results are presented which validate the claims of stability and accuracy of this method over a wide range of frequencies where traditional methods would fail.
97 MATHEMATICS AND COMPUTING↗
Optimal Power Hardware-in-the-Loop Interfacing: Applying Modern Control For Design and Verification of High-Accuracy Interfaces
Here, we develop a novel approach to designing power hardware-in-the-loop (PHIL) simulation interfaces that maximizes simulation bandwidth and accuracy by leveraging a modern control framework that explicitly considers objectives on accuracy and can automatically synthesize an optimal controller that meets these objectives while stabilizing the closed-loop system. The method developed improves upon common approaches to PHIL interface design that typically involve multiple design steps for manual compensation and stabilization design that can result in interfaces that are stable but have suboptimal bandwidth and accuracy. The approach developed is general and can be applied to most PHIL system configurations. The modeling framework allows for the inclusion of scaling factors and hardware-under-test current injection models that are common to practical PHIL simulations and have significant impacts on stability. We also present practical methods and metrics for verifying the absolute accuracy of PHIL simulation results without relying on relative comparisons to potentially inaccurate models or previous simulation results. We demonstrate the accuracy evaluation method and show the improved performance achievable when using the optimal PHIL interface design approach in an experimental case study involving a 100-kVA battery inverter.
42 ENGINEERING↗
Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space
Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.
02 PETROLEUM↗
Robust H{sub ∞} control for singular time-delay systems with saturating actuators via static output feedback
The problem of H{sub ∞} robust exponential stability and static output feedback stabilization of uncertain singular time-delay systems with saturating actuators are investigated. First, the delay-dependent condition is given to guarantee that the singular time-delay systems are not only exponential admissible, but also satisfies H{sub ∞} performance γ. Moreover, the estimation of stability region and the design method of H{sub ∞} static output feedback controller are given by solving a convex optimization problem. Some simulation examples are provided to demonstrate the merit of the proposed design methods.
97 MATHEMATICS AND COMPUTING↗
A Strong Stability Preserving Analysis for Explicit Multistage Two-Derivative Time-Stepping Schemes Based on Taylor Series Conditions
High-order strong stability preserving (SSP) time discretizations are usually needed to ensure the nonlinear (and sometimes non-inner-product) strong stability properties of spatial discretizations specially designed for the solution of hyperbolic PDEs. Multi-derivative time-stepping methods have recently been increasingly used for evolving hyperbolic PDEs, and the strong stability properties of these methods are of interest. In our prior work we explored time discretizations that preserve the strong stability properties of spatial discretizations coupled with forward Euler and a second-derivative formulation. Yet, many spatial discretizations do not satisfy strong stability properties when coupled with this second-derivative formulation, but rather with a more natural Taylor series formulation. Here, we demonstrate sufficient conditions for an explicit two-derivative multistage method to preserve the strong stability properties of spatial discretizations in a forward Euler and Taylor series formulation. We call these strong stability preserving Taylor series (SSP-TS) methods. We also prove that the maximal order of SSP-TS methods is p=6, and define an optimization procedure that allows us to find such SSP methods. Several types of these methods are presented and their efficiency compared. Finally, these methods are tested on several PDEs to demonstrate the benefit of SSP-TS methods, the need for the SSP property, and the sharpness of the SSP time-step in many cases.
97 MATHEMATICS AND COMPUTING↗
Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods
The Ti-O system consists of a multitude of stable and metastable oxides that are used in wide ranging applications. In this work we investigate phase stability in the Ti-O binary from first principles. We perform a systematic search for ground state structures as a function of oxygen concentration by considering oxygen-vacancy and/or titanium-vacancy orderings over four parent crystal structures: (i) hcp Ti, (ii) ω-Ti, (iii) rocksalt, and (iv) hcp oxygen containing interstitial titanium. We explore phase stability at finite temperature using cluster expansion Hamiltonians and Monte Carlo simulations. The calculations predict a high oxygen solubility in hcp Ti and the stability of suboxide phases that undergo order-disorder transitions upon heating. Vacancy ordered rocksalt phases are also predicted at low temperature that disorder to form an extended solid solution at high temperatures. Predicted stable and metastable phase diagrams are qualitatively consistent with experimental observations, however, important discrepancies are revealed between first-principles density functional theory predictions of phase stability and the current understanding of phase stability in this system.
36 MATERIALS SCIENCE↗
Low-iridium stabilized ruthenium oxide anode catalyst for durable proton-exchange membrane water electrolysis
While mixing iridium (Ir) with ruthenium oxide (RuO 2 ) has proven to be an effective strategy for reducing Ir loading in anode catalysts for proton-exchange membrane (PEM) water electrolysers, achieving industrially relevant long-term stability typically requires an Ir-rich, Ru-lean combination. Here, in this study, by combining density functional theory with Metropolis Monte Carlo methods, we discovered that sufficient stabilization in the RuO 2 lattice could be achieved with less than 50 at.% of Ir, and that Ir in the first subsurface layer plays a critical role. By effectively dispersing Ir dopants within the RuO 2 lattice, we demonstrated an Ir:Ru atomic ratio of only 1:6 that exhibited exceptional stability for over 1,500 h of continuous water electrolysis at 2 A cm −2 . Our Ru 6 IrO x catalyst has the potential to reduce Ir loading by 80% compared with current commercial PEM water electrolysers, and its stability was further validated under industrial testing conditions in a 25-cm 2 PEM electrolyser.
36 MATERIALS SCIENCE↗
Semi-Implicit Computation of Fast Modes in a Scheme Integrating Slow Modes by a Leapfrog Method Based on a Selective Implicit Time Filter
Abstract A scheme for integration of atmospheric equations containing terms with differing time scales is developed. The method employs a filtered leapfrog scheme utilizing a fourth-order implicit time filter with one function evaluation per time step to compute slow-propagating phenomena such as advection and rotation. The terms involving fast-propagating modes are handled implicitly with an unconditionally stable method that permits application of larger time steps and faster computations compared to fully explicit treatment. Implementation using explicit and recurrent formulation is provided. Stability analysis demonstrates that the method is conditionally stable for any combination of frequencies involved in the slow and fast terms as they approach the origin. The implicit filter used in the method damps the computational modes without noticeably sacrificing the accuracy of the physical mode. TheO[(Δt 4 )] accuracy for amplitude errors achieved by the implicitly filtered leapfrog is preserved in applications where terms responsible for fast propagation are integrated with a semi-implicit method. Detailed formulation of the method for soundproof nonhydrostatic anelastic equations is provided. Procedures for implementation in global spectral shallow-water models are also given. Examples comparing numerical and analytical solutions for linear gravity waves demonstrate the accuracy of the scheme. The performance is also shown in more practical nonlinear applications, where numerical solutions accomplished by the method are evaluated against those computed from a scheme where the slow terms are handled by the third-order Runge–Kutta scheme. It demonstrates that the method is able to accurately resolve fine-scale dynamics of Kelvin–Helmholtz shear instabilities, the evolution of density current, and nonlinear drifts of twin tropical cyclones.
Meteorology & Atmospheric Sciences↗
Fast Solution of Fully Implicit Runge--Kutta and Discontinuous Galerkin in Time for Numerical PDEs, Part I: the Linear Setting
Fully implicit Runge--Kutta (IRK) methods have many desirable properties as time integration schemes in terms of accuracy and stability, but high-order IRK methods are not commonly used in practice with numerical PDEs due to the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic preconditioning framework for solving the systems of equations that arise from IRK methods applied to linear numerical PDEs (without algebraic constraints). Additionally, this framework also naturally applies to discontinuous Galerkin discretizations in time. Under quite general assumptions on the spatial discretization that yield stable time integration, the preconditioned operator is proven to have condition number bounded by a small, order-one constant, independent of the spatial mesh and time-step size, and with only weak dependence on number of stages/polynomial order; for example, the preconditioned operator for 10th-order Gauss IRK has condition number less than two, independent of the spatial discretization and time step. The new method can be used with arbitrary existing preconditioners for backward Euler-type time-stepping schemes and is amenable to the use of three-term recursion Krylov methods when the underlying spatial discretization is symmetric. The new method is demonstrated to be effective on various high-order finite-difference and finite element discretizations of linear parabolic and hyperbolic problems, demonstrating fast, scalable solution of up to 10th-order accuracy. The new method consistently outperforms existing block preconditioning approaches, and in several cases, the new method can achieve 4th-order accuracy using Gauss integration with roughly half the number of preconditioner applications and wallclock time as required using standard diagonally IRK methods.
97 MATHEMATICS AND COMPUTING↗
Estimation of turbulence dissipation rate and its variability from sonic anemometer and wind Doppler lidar during the XPIA field campaign
Despite turbulence being a fundamental transport process in the boundary layer, the capability of current numerical models to represent it is undermined by the limits of the adopted assumptions, notably that of local equilibrium. Here we leverage the potential of extensive observations in determining the variability in turbulence dissipation rate (ϵ). These observations can provide insights towards the understanding of the scales at which the major assumption of local equilibrium between generation and dissipation of turbulence is invalid. Typically, observations of ϵ require time- and labor-intensive measurements from sonic and/or hot-wire anemometers. We explore the capability of wind Doppler lidars to provide measurements of ϵ. We refine and extend an existing method to accommodate different atmospheric stability conditions. To validate our approach, we estimate ϵ from four wind Doppler lidars during the 3-month XPIA campaign at the Boulder Atmospheric Observatory (Colorado), and we assess the uncertainty of the proposed method by data intercomparison with sonic anemometer measurements of ϵ. Our analysis of this extensive dataset provides understanding of the climatology of turbulence dissipation over the course of the campaign. Further, the variability in ϵ with atmospheric stability, height, and wind speed is also assessed. Finally, we present how ϵ increases as nocturnal turbulence is generated during low-level jet events.
17 WIND ENERGY↗