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At least 181 records · Page 10

Direct characterization of quantum dynamics with noisy ancilla

We present methods for the direct characterization of quantum dynamics (DCQD) in which both the principal and ancilla systems undergo noisy processes. Using a concatenated error detection code, we discriminate between located and unlocated errors on the principal system in what amounts to filtering of ancilla noise. The example of composite noise involving amplitude damping and depolarizing channels is used to demonstrate the method, while we find the rate of noise filtering is more generally dependent on code distance. Furthermore our results indicate the accuracy of quantum process characterization can be greatly improved while remaining within reach of current experimental capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Solvothermal hot injection synthesis of core-shell AgNi nanoparticles

Silver-nickel core-shell nanoparticles (NP) were prepared by solvothermal hot injection synthesis by simultaneous thermolysis/reduction of AgNO 3 and Ni(acac) 2 precursors in the hot mixture of octadecene and oleylamine. Oleylamine decreases decomposition temperature of AgNO 3 to that of Ni(acac) 2 thus ensuring favorable reaction conditions. The prepared AgNi NPs with different Ag/Ni ratios were completely characterized. Dynamic light scattering (DLS) and small angle X-ray scattering (SAXS) were used for particle size characterization of as-prepared AgNi colloids. There is no dependence of the particle size (13–21 nm by SAXS) on the Ag/Ni stoichiometric ratio, but the ultraviolet–visible spectroscopy (UV–vis) reveals that the intensity of the surface plasmon (SPR) decreases with increasing Ni content. Transmission electron microscopy (TEM) verified the results of DLS and SAXS and showed spherical nanoparticle shape. Distribution of individual elements in the nanoparticles was mapped by high resolution scanning transmission electron microscopy and energy dispersive X-ray spectroscopy (STEM-EDS) and revealed their core-shell structure where an Ag nucleus is covered by a thin amorphous Ni layer. Upon heating to 400 °C, Ni crystallization is substantiated by appearance of diffractions in the high-temperature X-ray powder diffractograms (HT-XRD) and of a magnetic moment. Ultimate phase separation was proven by scanning electron microscopy and energy dispersive X-ray analysis (SEM-EDS) in samples heated to 1000 °C. The reaction course and nanoparticle formation studied by DLS, UV–vis, and Ag and Ni elemental analyses reveal an initial Ag seed formation with subsequent Ni overlayer deposition after 180 s.

36 MATERIALS SCIENCE↗

Energy cascade with small-scale thermalization, counterflow metastability, and anomalous velocity of vortex rings in Fourier-truncated Gross-Pitaevskii equation

The statistical equilibria of the (conservative) dynamics of the Gross-Pitaevskii equation (GPE) with a finite range of spatial Fourier modes are characterized using a new algorithm, based on a stochastically forced Ginzburg-Landau equation (SGLE), that directly generates grand-canonical distributions. The SGLE-generated distributions are validated against finite-temperature GPE-thermalized states and exact (low-temperature) results obtained by steepest descent on the (grand-canonical) partition function. A standard finite-temperature second-order {lambda} transition is exhibited. A mechanism of GPE thermalization through a direct cascade of energy is found using initial conditions with mass and energy distributed at large scales. A long transient with partial thermalization at small scales is observed before the system reaches equilibrium. Vortices are shown to disappear as a prelude to final thermalization and their annihilation is related to the contraction of vortex rings due to mutual friction. Increasing the amount of dispersion at the truncation wave number is shown to slow thermalization and vortex annihilation. A bottleneck that produces spontaneous effective self-truncation with partial thermalization is characterized in the limit of large dispersive effects. Metastable counterflow states, with nonzero values of momentum, are generated using the SGLE algorithm. Spontaneous nucleation of the vortex ring is observed and the corresponding Arrhenius law is characterized. Dynamical counterflow effects on vortex evolution are investigated using two exact solutions of the GPE: traveling vortex rings and a motionless crystal-like lattice of vortex lines. Longitudinal effects are produced and measured on the crystal lattice. A dilatation of vortex rings is obtained for counterflows larger than their translational velocity. The vortex ring translational velocity has a dependence on temperature that is an order of magnitude above that of the crystal lattice, an effect that is related to the presence of finite-amplitude Kelvin waves. This anomalous vortex ring velocity is quantitatively reproduced by assuming equipartition of energy of the Kelvin waves. Orders of magnitude are given for the predicted effects in weakly interacting Bose-Einstein condensates and superfluid {sup 4}He.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dynamic characteristics of single crystal SSME blades

The Space Shuttle Main Engine (SSME) High Pressure Fuel Turbopump (HPFTP) blades are currently manufactured using a directionally solidified (DS) material, MAR-M-246+Hf. However, a necessity to reduce the occurrence of fatigue cracking within the DS blades has lead to an interest in the use of a single crystal (SC) material, PWA-1480. A study was initiated to determine the dynamic characteristics of the HPFTP blades made of SC material and find possible critical engine order excitations. This study examined both the first and second stage drive turbine blades of the HPFTP. The dynamic characterization was done analytically as well as experimentally. The analytical study examined the SC first stage HPFTP blade dynamic characteristics under typical operating conditions. The blades were analyzed using MSC/NASTRAN and a finite element model. Two operating conditions, 27500 RPM and 35000 RPM, were investigated.

Moss, L. A.↗

Dynamic Tensile Response of a Fe–49Co–2V Alloy at Various Strain Rates and Temperatures

Soft ferromagnetic alloys are often utilized in electromagnetic applications due to their desirable magnetic properties. In support of these applications, the ferromagnetic alloys are also required to bear mechanical load under various loading and environmental conditions. In this study, a Fe–49Co–2V alloy was dynamically characterized in tension with a Kolsky tension bar and a Drop–Hopkinson bar at various strain rates and temperatures. Dynamic tensile stress–strain curves of the Fe–49Co–2V alloy were obtained at strain rates ranging from 40 to 230 s -1 and temperatures from - 100 to 100 °C. All dynamic tensile stress–strain curves exhibited an initial linear elastic response to an upper yield followed by Lüders band response and then a nearly linear work-hardening behavior. The yield strength of this material was found to be sensitive to both strain rate and temperature, whereas the hardening rate was independent of strain rate or temperature. The Fe–49Co–2V alloy exhibited a feature of brittle fracture in tension under dynamic loading with no necking being observed.

36 MATERIALS SCIENCE↗

Finding Order in the Disordered Hydration Shell of Rapidly Exchanging Water Molecules around the Heaviest Alkali Cs + and Fr +

Here, we report the structural and dynamical characterization of the intrinsically disordered hydration shells of the heaviest alkali ions, Cs + and Fr + , obtained in ab initio molecular dynamics simulations. The knowledge of solvation and complexation properties of short-lived Fr + is very limited and mostly based on extrapolations from the smaller alkali metal ions. To this end, we provide a critical insight into Fr + solvation, demonstrating an extreme example of disordered solvation with no distinction between the ion-bound and solvent-bound states of water based on the ion–water distance. However, these two states are distinguished through distance-solvent rearrangement correlation, where either coordination number or electric field is employed to treat solvent rearrangement. Utilizing reaction rate theory, we find that the water exchange time scale for Fr + (2.1–2.3 ps) is unexpectedly slower than for Cs + (0.5–1.2 ps), because Fr + experiences stronger nonequilibrium solvent effects. This study provides a new perspective on weak and hydrophobic solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data Compression Algorithm Architecture for Large Depth-of-Field Particle Image Velocimeters

A large depth-of-field particle image velocimeter (PIV) is designed to characterize dynamic dust environments on planetary surfaces. This instrument detects lofted dust particles, and senses the number of particles per unit volume, measuring their sizes, velocities (both speed and direction), and shape factors when the particles are large. To measure these particle characteristics in-flight, the instrument gathers two-dimensional image data at a high frame rate, typically >4,000 Hz, generating large amounts of data for every second of operation, approximately 6 GB/s. To characterize a planetary dust environment that is dynamic, the instrument would have to operate for at least several minutes during an observation period, easily producing more than a terabyte of data per observation. Given current technology, this amount of data would be very difficult to store onboard a spacecraft, and downlink to Earth. Since 2007, innovators have been developing an autonomous image analysis algorithm architecture for the PIV instrument to greatly reduce the amount of data that it has to store and downlink. The algorithm analyzes PIV images and automatically reduces the image information down to only the particle measurement data that is of interest, reducing the amount of data that is handled by more than 10(exp 3). The state of development for this innovation is now fairly mature, with a functional algorithm architecture, along with several key pieces of algorithm logic, that has been proven through field test data acquired with a proof-of-concept PIV instrument.

Bos, Brent↗

Steady-state properties of multi-orbital systems using quantum Monte Carlo

A precise dynamical characterization of quantum impurity models with multiple interacting orbitals is challenging. In quantum Monte Carlo methods, this is embodied by sign problems. A dynamical sign problem makes it exponentially difficult to simulate long times. A multi-orbital sign problem generally results in a prohibitive computational cost for systems with multiple impurity degrees of freedom even in static equilibrium calculations. Here, we present a numerically exact inchworm method that simultaneously alleviates both sign problems, enabling simulation of multi-orbital systems directly in the equilibrium or nonequilibrium steady-state. The method combines ideas from the recently developed steady-state inchworm Monte Carlo framework [Erpenbeck et al., Phys. Rev. Lett. 130, 186301 (2023)] with other ideas from the equilibrium multi-orbital inchworm algorithm [Eidelstein et al., Phys. Rev. Lett. 124, 206405 (2020)]. We verify our method by comparison with analytical limits and numerical results from previous methods.

Chemistry↗

Comprehensive Study of Carrier Recombination in High‐Efficiency CdTe Solar Cells Using Transient Photovoltage

Cadmium telluride (CdTe) solar cells represent a commercially successful photovoltaic technology, with an annual production capacity approaching 20 GW. However, improving the open-circuit voltage (V OC ) remains challenging. This study aims to deepen the understanding of charge carrier recombination in CdTe solar cells and to explore alternative dynamical characterization methods that address the limitations found in conventionally used time-resolved photoluminescence for CdTe solar cells. Transient photovoltage and transient photocurrent techniques are utilized to investigate charge carrier dynamics under conditions resembling real-world solar cell operation. The results reveal that an effective nonradiative recombination lifetime of 580 ns dominates the charge dynamics at VOC values below 850 mV. Above this threshold, radiative recombination becomes significant, with a radiative recombination coefficient of 1.1 × 10 −9 cm 3 s −1 . Additionally, the stationary charge carrier density at 1 sun is determined to be around 1 × 10 14 cm −3 . By accurately determining both radiative and nonradiative recombination, this work provides a comprehensive understanding of carrier dynamics in high-performing CdTe devices and paves the way for improving the V OC and performance of CdTe solar cells.

CdTe solar cells↗

Analysis and testing of a space crane articulating joint testbed

The topics are presented in viewgraph form and include: space crane concept with mobile base; mechanical versus structural articulating joint; articulating joint test bed and reference truss; static and dynamic characterization completed for space crane reference truss configuration; improved linear actuators reduce articulating joint test bed backlash; 1-DOF space crane slew maneuver; boom 2 tip transient response finite element dynamic model; boom 2 tip transient response shear-corrected component modes torque driver profile; peak root member force vs. slew time torque driver profile; and open loop control of space crane motion.

Thomas R Sutter↗

A forward model-based validation of cardiovascular system identification

We present a theoretical evaluation of a cardiovascular system identification method that we previously developed for the analysis of beat-to-beat fluctuations in noninvasively measured heart rate, arterial blood pressure, and instantaneous lung volume. The method provides a dynamical characterization of the important autonomic and mechanical mechanisms responsible for coupling the fluctuations (inverse modeling). To carry out the evaluation, we developed a computational model of the cardiovascular system capable of generating realistic beat-to-beat variability (forward modeling). We applied the method to data generated from the forward model and compared the resulting estimated dynamics with the actual dynamics of the forward model, which were either precisely known or easily determined. We found that the estimated dynamics corresponded to the actual dynamics and that this correspondence was robust to forward model uncertainty. We also demonstrated the sensitivity of the method in detecting small changes in parameters characterizing autonomic function in the forward model. These results provide confidence in the performance of the cardiovascular system identification method when applied to experimental data.

NASA Discipline Cardiopulmonary↗

Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces

A basic understanding of dynamic wettability alteration at complex solid interfaces in varying fluidic environments representative of the subsurface environments is essential for engineering field-scale strategies to enhance energy recovery while reducing environmental impacts. In this study, we characterize dynamic wettability alteration at solid surfaces (e.g., calcite, silica and illite) resulting from the self-assembly and adsorption of polyaromatic macromolecules known as asphaltenes in heptane and toluene solvents at 200 bar and 313 K using classical molecular dynamics simulations. These conditions are chosen to be representative of the subsurface environments. On adding asphaltenes, the equilibrium contact angles on calcite, silica and illite surfaces which are in the range of 25–34° increased to 69–79°. The adsorption and self-assembly of asphaltene molecules on the solid surfaces and the accumulation on water/hydrocarbon interfaces reduces the spreading distances of water molecules and enhances the hydrophobicity of the solid surfaces. Moreover, the accumulation of asphaltene molecules at the water/liquid hydrocarbon interfaces results in a reduction of the interfacial tension of water/heptane and water/toluene, thus stabilizing the water droplet. The enhanced surface hydrophobicity contributes to the formation of layered structures of heptane and toluene close to the solid surfaces and reduces the self-diffusivities of these molecules close to the surface.

42 ENGINEERING↗

Fluctuations in the Dynamics of Glasses

This research program addressed the question of the presence of dynamical heterogeneities – strong spatial fluctuations in the dynamics – in glass forming liquids and jamming systems near dynamical arrest, with particular emphasis on aging systems, i.e. systems that are in the (non-equilibrium) glass regime. The main goals proposed for this research were: to perform numerical simulations of atomistic structural glass models to characterize dynamical heterogeneities in out of equilibrium (aging) glassy systems; to test the hypothesis that a certain symmetry (“time reparametrization symmetry”) is present in microscopic models of glassy systems and that this symmetry can explain the main features of dynamical heterogeneities; and to test to what extent these phenomena are universal across different glassy/jamming systems. It was found that: most of the important features of dynamical heterogeneities in the aging regime could be described in terms of simple scaling behaviors; that some of the most basic theoretical models of glassy systems indeed have time reparametrization symmetry; that all tests performed in numerical simulation data were consistent with the predictions from time reparametrization symmetry; and that to a large degree, the main features of dynamical heterogeneities were universal across different glassy systems. Most of the findings that came out of this research have been reported in detail in eight papers in high quality journals, two unpublished but publicly accessible manuscripts, and 27 invited and contributed talks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High resolution measurements of core density collapse dynamics in LHD

The core density collapse (CDC) is an abrupt instability that degrades the performance of super dense core stellarator plasmas on the Large Helical Device (LHD). In LHD, CDCs have proved to be an operational limit in so-called outward-shifted configurations. New measurements with high time resolution Thomson scattering characterize dynamics of the instability in the core. The density profile is observed to collapse inwards, narrowing the density peak till the core itself collapses. A hot, radially localized feature is also observed in the electron temperature profile during the collapse and disappears within a few hundred microseconds of CDC onset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observations of Planet Crossing Asteroids

The goals of this research were the physical and dynamical characterization of planet crossing asteroids (Earth crossers, Mars crossers, Centaurs, and Pluto crossers, meaning trans-Neptunian objects), including colorimetry, rotational studies, and astrometry. Highlights are listed as follows: 1) Produced one doctoral dissertation (R. J. Whiteley, A Compositional and Dynamical Survey of the Near-Earth Asteroids). A key result is the fraction of Q-type asteroids among the near-Earth population was found to be about one-third; 2) Had prediscovery image showing the binary nature of trans-Neptunian object 1998 WW31, which is the first TNO to have a satellite found in orbit around it; 3) Discovery of shortest known rotation period for any asteroid (2000 D08, rotation period 78 seconds); it is just one of several fast-rotating small asteroids observed during the course of this project; 4) Discovery of a Centaur asteroid (1998 QM107) with, at the time, the smallest known orbital eccentricity among the Centaurs (0.13) and nearly in a 1:1 resonance with Uranus (semimajor axis of 19.9 AU); 5) Discovery of Apollo-type asteroid 1999 OW3, with a surprisingly bright absolute magnitude of 14.6 (estimated diameter of 4.6 km), brightest Apollo found in that calendar year; 6) Discovery of Aten-type asteroid 2000 SG344, which has the highest cumulative Earth impact probability among the near-Earth asteroids and a very Earth-similar orbit; 7) Instrumental in repairing the orbit of a numbered near-Earth asteroid for which prediscovery observations had been mis-attributed to it (2000 VN2); 8) Second-opposition recovery of 30-meter diameter Apollo-type asteroid 1998 KY26 in early 2002 when it was at a favorable magnitude of 24.8; 9) Primary contributor of astrometric observations of the CONTOUR fragments to the CONTOUR project following the failure of the spacecraft s kick motor; and 10) Development of orbit and ephemeris computation code that handles short observational arcs, observations at small solar elongations where indeterminacy is a known problem, and a small number of observations (including just two). Starting in 2000 November, the Spaceguard Central Node began prioritizing near-Earth asteroids in need of astrometric observation. Our own follow-up efforts relied on these listings, with emphasis given to the faintest objects where the combination of a 2.2-m telescope and a site with subarcsecond seeing produces a limiting magnitude close to 25, which represents a unique and valuable capability. The attached table, last updated in August, demonstrates the arc-lengthening capabilities of a faint limiting magnitude. Tabulated are the arc lengths before and after our observation(s), whether our observation is the last one available for the object in question, and the approximate magnitude of the object at the time of the observation.

Tholen, David J.↗

Understanding the changes in ductility and Poisson's ratio of metallic glasses during annealing from microscopic dynamics

In the paper K. L. Ngai et al., [J. Chem. 140, 044511 (2014)], the empirical correlation of ductility with the Poisson's ratio, ν{sub Poisson}, found in metallic glasses was theoretically explained by microscopic dynamic processes which link on the one hand ductility, and on the other hand the Poisson's ratio. Specifically, the dynamic processes are the primitive relaxation in the Coupling Model which is the precursor of the Johari–Goldstein β-relaxation, and the caged atoms dynamics characterized by the effective Debye–Waller factor f{sub 0} or equivalently the nearly constant loss (NCL) in susceptibility. All these processes and the parameters characterizing them are accessible experimentally except f{sub 0} or the NCL of caged atoms; thus, so far, the experimental verification of the explanation of the correlation between ductility and Poisson's ratio is incomplete. In the experimental part of this paper, we report dynamic mechanical measurement of the NCL of the metallic glass La{sub 60}Ni{sub 15}Al{sub 25} as-cast, and the changes by annealing at temperature below T{sub g}. The observed monotonic decrease of the NCL with aging time, reflecting the corresponding increase of f{sub 0}, correlates with the decrease of ν{sub Poisson}. This is important observation because such measurements, not made before, provide the missing link in confirming by experiment the explanation of the correlation of ductility with ν{sub Poisson}. On aging the metallic glass, also observed in the isochronal loss spectra is the shift of the β-relaxation to higher temperatures and reduction of the relaxation strength. These concomitant changes of the β-relaxation and NCL are the root cause of embrittlement by aging the metallic glass. The NCL of caged atoms is terminated by the onset of the primitive relaxation in the Coupling Model, which is generally supported by experiments. From this relation, the monotonic decrease of the NCL with aging time is caused by the slowing down of the primitive relaxation and β-relaxation on annealing, and vice versa.

36 MATERIALS SCIENCE↗

Scalings of intermittent structures in magnetohydrodynamic turbulence

Turbulence is ubiquitous in plasmas, leading to rich dynamics characterized by irregularity, irreversibility, energy fluctuations across many scales, and energy transfer across many scales. Another fundamental and generic feature of turbulence, although sometimes overlooked, is the inhomogeneous dissipation of energy in space and in time. This is a consequence of intermittency, the scale-dependent inhomogeneity of dynamics caused by fluctuations in the turbulent cascade. Intermittency causes turbulent plasmas to self-organize into coherent dissipative structures, which may govern heating, diffusion, particle acceleration, and radiation emissions. In this paper, we present recent progress on understanding intermittency in incompressible magnetohydrodynamic turbulence with a strong guide field. We focus on the statistical analysis of intermittent dissipative structures, which occupy a small fraction of the volume but arguably account for the majority of energy dissipation. We show that, in our numerical simulations, intermittent structures in the current density, vorticity, and Elsässer vorticities all have nearly identical statistical properties. We propose phenomenological explanations for the scalings based on general considerations of Elsässer vorticity structures. Finally, we examine the broader implications of intermittency for astrophysical systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Data Quality Objective Scoping Package In Support of a Remedial Action at Exposure Unit 5 Attachment C, Rev 0 to the Upper East Fork Poplar Creek Soils Remedial Action Work Plan DOE/OR/01-2423&D1

The Department of Energy (DOE), Oak Ridge Office of Environmental Management (OREM), intends to perform characterization of Exposure Unit 5 (EU-5) slabs and soils at the Y-12 National Security Complex (Y-12). This Data Quality Objective (DQO) Scoping Package has been prepared as part of the Upper East Fork Poplar Creek (UEFPC) Soils Remedial Action Work Plan (RAWP) (DOE 2010a) as the planning document for the Dynamic Characterization Strategy (DCS) for soils in EU-5. Y-12 is located at the southeastern boundary of the Oak Ridge Reservation (ORR) and the industrialized area of Y-12 consists of approximately 600 acres located within the UEFPC watershed characterization area. The UEFPC RAWP and this DQO Scoping Package were developed in order to address the remedial action objectives of the Record of Decision for Phase II Interim Remedial Actions for Contaminated Soils and Scrapyard in UEFPC, Oak Ridge, Tennessee, DOE/OR/01-2229&D3 (Soils ROD) (DOE 2006).

54 ENVIRONMENTAL SCIENCES↗