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At least 1,117 records · Page 62

Explosive attractor solutions to a universal cubic delay equation

New explosive attractor solutions have been found in a universal cubic delay equation that has been studied in both the plasma and the fluid mechanics literature. Through computational simulations and analytic approximations, it is found that the oscillatory component of the explosive mode amplitude solutions are described through multi-frequency Fourier expansions with respect to a pseudo-time variable. The spectral dependence of these solutions as a function of a system parameter, ϕ, is studied. The mode amplitude that is described in the explosive regime has two main features: a well-known envelope (t0−t)−5/2, with t0 the blow-up time of the amplitude, and a spectrum of discrete oscillations with ever-increasing frequencies, which may give experimental information about the properties of a system's equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides

The mercury dihalides show a remarkable diversity in the structural preferences in their minimum energy structure types, spanning molecular to strongly bound ionic solids. A challenge in the development of density functional methods for extended systems is to arrive at strategies that serve equally well such a broad range of bonding modes or structural preferences. The chemical bonding and the stabilities of mercury dihalides and the general utility and reliability of the van der Waals density functional with C09 exchange (vdW-DF-C09) in predicting or describing the energetics and structural preferences in these metal dihalides is examined. Here, we show that, in contrast with the uncorrected generalized gradient approximation of the Perdew-Burke-Erzenhoff (PBE) exchange-correlation functional, qualitative and quantitative patterns in the bonding of the mercury dihalide solids are well reproduced with vdW-DF-C09 for the full series of HgX 2 systems for X = F, Cl, Br, and I. The possible existence of a low-temperature cotunnite polymorph for HgF 2 and PbF 2 is posited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crystal-momentum-resolved contributions to high-order harmonic generation in solids

We analytically and numerically investigate the emission of high-order harmonic radiation from model solids by intense few-cycle midinfrared laser pulses. In single-active-electron approximation, we expand the active electron's wave function in a basis of adiabatic Houston states and describe the solid's electronic band structure in terms of an adjustable Kronig-Penney model potential. For high-order harmonic generation (HHG) from MgO crystals, we examine spectra from two-band and converged multiband numerical calculations. We discuss the characteristics of intra- and interband contributions to the HHG spectrum for computations including initial crystal momenta either from the Γ point at the center of the first Brioullin zone (BZ) only or from the entire first BZ. For sufficiently high intensities of the driving laser field, we find relevant contributions to HHG from the entire first BZ. Here, based on numerically calculated spectra, we scrutinize the cutoff harmonic orders as a function of the laser peak intensity and find good qualitative agreement with our analytical saddle-point-approximation predictions and published theoretical data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Global stability of a diffusive and delayed virus infection model with general incidence function and adaptive immune response

In this paper, the dynamical behaviors for a five-dimensional virus infection model with diffusion and two delays which describes the interactions of antibody, cytotoxic T-lymphocyte (CTL) immune responses and a general incidence function are investigated. The reproduction numbers for virus infection, antibody immune response, CTL immune response, CTL immune competition and antibody immune competition, respectively, are calculated. By using the Lyapunov functionals and linearization methods, the threshold conditions on the global stability of the equilibria for infection-free, immune-free, antibody response, CTL response and antibody and CTL responses, respectively, are established if the space is assumed as homogeneous. When the space is inhomogeneous, the effects of diffusion, intracellular delay and production delay are obtained by the numerical simulations.

97 MATHEMATICS AND COMPUTING↗

Wettability and Flow Rate Impacts on Immiscible Displacement: A Theoretical Model

When a more viscous fluid displaces a less viscous one in porous media, viscous pressure drop stabilizes the displacement front against capillary pressure fluctuation. For this favorable viscous ratio conditions, previous studies focused on the front instability under slow flow conditions but did not address competing effects of wettability and flow rate. Here we study how this competition controls displacement patterns. We propose a theoretical model that describes the crossover from fingering to stable flow as a function of invading fluid contact angle $θ$ and capillary number Ca . The phase diagram predicted by the model shows that decreasing $θ$ stabilizes the displacement for $θ$≥45° and the critical contact angle $θ_c$ increases with Ca . The boundary between corner flow and cooperative filling for $θ$ < 45° is also described. Finally, this work extends the classic phase diagram and has potential applications in predicting CO 2 capillary trapping and manipulating wettability to enhance gas/oil displacement efficiency.

58 GEOSCIENCES↗

Direct selection of functional fluorescent-protein antibody fusions by yeast display

Antibodies are important reagents for research, diagnostics, and therapeutics. Many examples of chimeric proteins combining the specific target recognition of antibodies with complementing functionalities such as fluorescence, toxicity or enzymatic activity have been described. However, antibodies selected solely on the basis of their binding specificities are not necessarily ideal candidates for the construction of chimeras. Here, we describe a high throughput method based on yeast display to directly select antibodies most suitable for conversion to fluorescent chimera. A library of scFv binders was converted to a fluorescent chimeric form, by cloning thermal green protein into the linker between VH and VL, and directly selecting for both binding and fluorescent functionality. This allowed us to directly identify antibodies functional in the single chain TGP format, that manifest higher protein expression, easier protein purification, and one-step binding assays.

59 BASIC BIOLOGICAL SCIENCES↗

Functionalized Dipicolinic Acid Derivatives as TALSPEAK-MME Stripping Agents

This work describes the examination of two derivatives of dipicolinic acid as the stripping reagents in the combined HEH[EHP], Cyanex-923 system TALSPEAK-MME. The investigation focused on the behavior of the lanthanides, Am, and the transition metals Zr, Mo, Pd, Ru and Rh in the extraction, solvent conditioning, and stripping steps. Solvent conditioning with glycine buffer solutions was shown to be effective for the removal of entrained HNO3¬ as well as managing Pd concentration prior to stripping. The stripping kinetics revealed very rapid phase transfer reactions. The DPA derivatives were shown to have comparable performance to traditional polyaminopolycarboxylate ligands in this system.

TALSPEAK Process, Dipicolinic acid, TALSPEAK-MME, ↗

The Frequency-Watt Function: Simulation and Testing for the Hawaiian Electric Companies

This interim report describes research related to frequency-watt control of solar photovoltaic (PV) inverters conducted under the U.S. Department of Energy's Grid Modernization Laboratory Consortium (GMLC) by a regional partnership for Hawaii. The purpose of this report is to inform an ongoing discussion around frequency-watt control activation in Hawaii.

14 SOLAR ENERGY↗

Use of multiscale zirconium alloy deformation models in nuclear fuel behavior analysis

Accurate prediction of cladding mechanical behavior is a key aspect of modeling nuclear fuel behavior, especially for conditions of pellet-cladding interaction (PCI), reactivity-initiated accidents (RIA), and loss of coolant accidents (LOCA). Current approaches to fuel performance modeling rely on empirical constitutive models for cladding creep, growth and plastic deformation, which are limited to the materials and conditions for which the models were developed. To improve upon this approach, a microstructurally-based zirconium alloy mechanical deformation analysis capability is being developed within the United States Department of Energy Consortium for Advanced Simulation of Light Water Reactors (CASL). Specifically, the viscoplastic self-consistent (VPSC) polycrystal plasticity modeling approach, developed by Lebensohn and Tomé [1], has been coupled with the BISON engineering scale fuel performance code to represent the mechanistic material processes controlling the deformation behavior of light water reactor (LWR) cladding. A critical component of VPSC is the representation of the crystallographic nature (defect and dislocation movement) and orientation of the grains within the matrix material and the ability to account for the role of texture on deformation. A future goal is for VPSC to obtain information on reaction rate kinetics from atomistic calculations to inform the defect and dislocation behavior models described in VPSC. The multiscale modeling of cladding deformation mechanisms allowed by VPSC far exceed the functionality of typical semi-empirical constitutive models employed in nuclear fuel behavior codes to model irradiation growth and creep, thermal creep, or plasticity. This paper describes the implementation of an interface between VPSC and BISON and provides initial results utilizing the coupled functionality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

(U) A Linear Response Model Predicts Reactivity From a Density Profile

We tested the ability to predict the system reactivity, described by alpha, given a density profile using a simple linear system response. We generated a suite of 1-dimensional density profiles that consisted of nominal density, a discontinuity, and a decay. These profiles were prescribed a functional form and the mass was conserved in all cases. From these density profiles, we calculated the alpha value of the 3-dimensional system.We calculated a linear response function given a training set of the 1-dimensional density profiles, and the system reactivity described by alpha. We tested the robustness of the response function using the remaining test data. Our results showed very good agreement between the predicted and calculated test values, where the distribution of alpha differences was centered about zero and had a standard deviation of 0.005 gens/shake. The predicted and calculated alpha values did not significantly differ (t=-0.0009 p<0.99). We used Singular Value Decomposition (SVD) to reduce the matrix rank by retaining95% of the cumulative singular value contributions. This reduced the matrix rank by 91.7%. We generated the linear response matrix and calculated the difference between the predicted and calculated alpha values. Using the reduced order matrix, we showed good agreement between the predicted and calculated alpha values where the distribution of differences was centered near zero, the standard deviation was 0.006 gens/shake, and the statistical t-test showed good agreement (t=0.02, p<0.98). These results show a linear relationship between a series of 1-dimensional density profiles,where the mass was conserved, and the system reactivity. The next steps of this work will be to investigate the linear response using 2-dimensional density profiles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Towards predicting removal rate and surface roughness during grinding of optical materials

A series of controlled grinding experiments, utilizing loose or fixed abrasives of either alumina or diamond at various particle sizes, were performed on a wide range of optical workpiece materials [single crystals of Al 2 O 3 (sapphire), SiC, Y 3 Al 5 O 12 (YAG), CaF 2 , and LiB 3 O 5 (LBO); a SiO 2 -Al 2 O 3 -P 2 O 5 -Li 2 O glass ceramic (Zerodur); and glasses of SiO 2 :TiO 2 (ULE), SiO 2 (fused silica), and P 2 O 5 -Al 2 O 3 -K 2 O-BaO (Phosphate)]. The material removal rate, surface roughness, and the morphology of surface fractures were measured. Separately, Vickers indentation was performed on the workpieces, and the depths of various crack types as a function of applied load was measured. Single pass grinding experiments showed distinct differences in the spatial pattern of surface fracturing between the loose alumina abrasive (isolated indent-type lateral cracking) and the loose or fixed diamond abrasive (scratch-type elongated lateral cracking). Each of the grinding methods had a removal rate and roughness that scaled with the lateral crack slope, sℓ (i.e. the rate of increase in lateral crack depth with the applied load) of the workpiece material. A grinding model (based on the volumetric removal of lateral cracks accounting for neighboring lateral crack removal efficiency and the fraction of abrasive particles leading to fracture initiation) and a roughness model (based on the depth of lateral cracks or the interface gap between the workpiece and lap) are shown to quantitatively describe the material removal rate and roughness as a function of workpiece material, abrasive size, applied pressure and relative velocity. This broad, multi-process variable grinding model can serve as a predictive tool for estimating grinding rates and surface roughness for various grinding processes on different workpiece materials

36 MATERIALS SCIENCE↗

Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon

Warm dense matter (WDM) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM is often created dynamically. It is typically laser or pulse-power generated and can be difficult to characterize experimentally. Measuring the energy loss of high energy ions, caused by a WDM target, is both a promising diagnostic and of fundamental importance to inertial confinement fusion research. However, electron coupling, degeneracy, and quantum effects limit the accuracy of easily calculable kinetic models for stopping power, while high temperatures make the traditional tools of condensed matter, e.g. time-dependent density functional theory (TD-DFT), often intractable. In this study, we have developed a mixed stochastic-deterministic approach to TD-DFT which provides more efficient computation while maintaining the required precision for model discrimination. Recently, this approach showed significant improvement compared to models when compared to experimental energy loss measurements in WDM carbon. Here, we describe this approach and demonstrate its application to warm dense carbon stopping across a range of projectile velocities. We compare direct stopping-power calculation to approaches based on combining homogeneous electron gas response with bound electrons, with parameters extracted from our TD-DFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local primordial non-Gaussian bias from time evolution

Primordial non-Gaussianity (PNG) is a signature of fundamental physics in the early Universe that is probed by cosmological observations. Here, it is well known that the local type of PNG generates a strong signal in the two-point function of large-scale structure tracers, such as galaxies. This signal, often termed “scale-dependent bias” is a generic feature of modulation of gravitational structure formation by a large-scale mode. It is less well appreciated that the coefficient controlling this signal, b ϕ , is closely connected to the time evolution of the tracer number density. This correspondence between time evolution and local PNG can be simply explained for a universal tracer whose mass function only depends on peak height and, more generally, for nonuniversal tracers in the separate universe picture, which we validate in simulations. We also describe how to recover the bias of tracers subject to a survey selection function and perform a simple demonstration on simulated galaxies. Since the local PNG amplitude in n-point statistics ($f$ NL ) is largely degenerate with the coefficient b ϕ , this proof of concept study demonstrates that Galaxy survey data can allow for more optimal and robust extraction of local PNG information from upcoming surveys.

Sullivan, James M. [University of California, Berk↗

One-dimensional nonlinear theory for rectangular helix traveling-wave tube

A 1-D nonlinear theory of a rectangular helix traveling-wave tube (TWT) interacting with a ribbon beam is presented in this paper. The RF field is modeled by a transmission line equivalent circuit, the ribbon beam is divided into a sequence of thin rectangular electron discs with the same cross section as the beam, and the charges are assumed to be uniformly distributed over these discs. Then a method of computing the space-charge field by solving Green's Function in the Cartesian Coordinate-system is fully described. Nonlinear partial differential equations for field amplitudes and Lorentz force equations for particles are solved numerically using the fourth-order Runge-Kutta technique. The tube's gain, output power, and efficiency of the above TWT are computed. The results show that increasing the cross section of the ribbon beam will improve a rectangular helix TWT's efficiency and reduce the saturated length.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spectral changes in the hyperluminous pulsar in NGC 5907 as a function of super-orbital phase

We present broadband, multi-epoch X-ray spectroscopy of the pulsating ultra-luminous X-ray source (ULX) in NGC 5907. Simultaneous XMM-Newton and NuSTAR data from 2014 are best described by a multicolor blackbody model with a temperature gradient as a function of accretion disk radius significantly flatter than expected for a standard thin accretion disk (T(r)∝r{sup −p}, with p=0.608{sub −0.012}{sup +0.014}). Additionally, we detect a hard power-law tail at energies above 10 keV, which we interpret as being due to Comptonization. We compare this observation to archival XMM-Newton, Chandra, and NuSTAR data from 2003, 2012, and 2013, and investigate possible spectral changes as a function of phase over the 78-day super-orbital period of this source. We find that observations taken around phases 0.3–0.4 show very similar temperature profiles, even though the observed flux varies significantly, while one observation taken around phase 0 has a significantly steeper profile. We discuss these findings in light of the recent discovery that the compact object is a neutron star and show that precession of the accretion disk or the neutron star can self-consistently explain most observed phenomena.

79 ASTRONOMY AND ASTROPHYSICS↗

A benchmark photoelectron spectroscopic and theoretical study of the electronic stability of [B12H12]2-

We report a joint benchmark study on the electronic stability of closo-dodecaborate [B12H12]2- employing negative ion photoelectron spectroscopy and high level electronic structure methods. The photoelectron spectra of [B12H12]2-, measured at 266, 193 and 157 nm, yield the Adiabatic and Vertical Detachment Energies (ADE and VDE) of this dianion at 0.93 ± 0.05 eV and 1.15 ± 0.05 eV, respectively, along with a ~ 3 eV Repulsive Coulomb Barrier (RCB) against electron detachment. Theoretical calculations at various levels of electronic structure theory confirm the high stability of this dianion. The ADE and VDE values calculated at the CCSD(T)/aug-cc-PVQZ level are 0.92, and 1.16 eV, in excellent agreement with the experimental benchmark values. The comparison between the experimental and the theoretical values obtained at different levels of theory indicate that the PBE0 density functional represents a cost-effective method of sufficient accuracy to describe the molecular properties of this dianion and associated compounds. The theoretical RCB was modelled after the electrostatic potential (ESP) and point charge method (PCM) along three different detachment pathways, viz. along the B-H bond, perpendicular to a B-B bond, and normal to a B-B-B triangle. It was found that detachment of the electron along the B-H bond is preferred, as this pathway is associated with RCBs between 2.3 eV (PCM) and 3.3 eV (ESP), values that bracket the experimental estimate of ~ 3 eV.

Apra, Edoardo↗

Dynamic Wind Loading on CSP Collectors Caused by Turbulent Wind Fluctuations: Insights from a 2-Year Field Campaign

Concentrating Solar Power (CSP) is a promising solar technology for electricity generation with thermal energy storage and with the additional benefit of industrial heat production. Wind loading on CSP collector structures, such as parabolic troughs or heliostats, is one of the primary drivers of their structural design costs. In particular, dynamic wind loading is a major source of uncertainty in the collector design process, which heavily relies on wind tunnel testing. In the field, the turbulent nature of the incoming wind creates fluctuating loads (support structure loads and resulting mirror deflections) on the collectors, with impacts on fatigue lifetime and optical performance. As is well known, wind tunnel tests cannot entirely reproduce the complex turbulent wind conditions typically observed at full-scale plants. To shed light on this topic, NREL initiated a field campaign at the operational Nevada Solar One (NSO) powerplant that uses parabolic troughs as solar collectors. The aim of the project is a detailed characterization of prevailing wind and turbulence conditions and resulting operational loads on parabolic troughs. We use the published 2-year dataset of high-resolution combined wind and structural loads measurements [1] to characterize the dynamic structural wind response. For quantifying dynamic wind loading, we apply the concept of admittance functions, which are spectral transfer functions that couple the turbulent wind to resulting structural loads (aerodynamic admittance), and to the structural response (mechanical admittance). In practice, aerodynamic admittance describes which turbulent eddy sizes are effective in creating structural loads. The mechanical admittance describes in which frequency ranges these loads are reinforced or dampened by the structure. While these functions are an established concept in civil engineering, their recent application to a single full-scale heliostat [2] proved their broader applicability to CSP collectors. Here, we present a characterization of admittance functions for full-scale parabolic trough collectors and show how wind characteristics (mean wind speed and direction, turbulent kinetic energy, turbulent length scales), the sun-tracking trough angle, and row position alter the admittance functions. Further, we study to which extent the admittance functions are universal for a specific trough geometry and how our findings compare to reported heliostat results. References [1] https://data.openei.org/submissions/5938. [2] Blume, K., Roger, M., and Pitz-Paal, R. 2023b. "Simplified analytical model to describe wind loads and wind-induced tracking deviations of heliostats." Solar Energy, 256, 96-109. https://doi.org/10.1016/j.solener.2023.03.055.

admittance functions↗