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At least 91 records · Page 5

Ultrasonic coupling to optically generated charge carriers in CdS: Physical phenomena and applications

Phonon-charge carrier interactions are studied as well as ultrasonic resonators. Sensitivity enhancement factors predicted by one dimensional resonator theory are verified and several sensitive ultrasonic experimental techniques are developed. Measurements are reported of an anomalous sign reversal of the acoustoelectric voltage in a CdS resonator. Applications of CdS as an ultrasonic power detector are described.

Heyman, J. S.↗

Investigating the electronic structure of high explosives with X-ray Raman spectroscopy

Abstract We investigate the sensitivity and potential of a synergistic experiment-theory X-ray Raman spectroscopy (XRS) methodology on revealing and following the static and dynamic electronic structure of high explosive molecular materials. We show that advanced ab-initio theoretical calculations accounting for the core-hole effect based on the Bethe-Salpeter Equation (BSE) approximation are critical for accurately predicting the shape and the energy position of the spectral features of C and N core-level spectra. Moreover, the incident X-ray dose typical XRS experiments require can induce, in certain unstable structures, a prominent radiation damage at room temperature. Upon developing a compatible cryostat module for enabling cryogenic temperatures ( $$\approx$$ ≈ 10 K) we suppress the radiation damage and enable the acquisition of reliable experimental spectra in excellent agreement with the theory. Overall, we demonstrate the high sensitivity of the recently available state-of-the-art X-ray Raman spectroscopy capabilities in characterizing the electronic structure of high explosives. At the same time, the high accuracy of the theoretical approach may enable reliable identification of intermediate structures upon rapid chemical decomposition during detonation. Considering the increasing availability of X-ray free-electron lasers, such a combined experiment-theory approach paves the way for time-resolved dynamic studies of high explosives under detonation conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temporal sensitivity

Human visual temporal sensitivity is examined. The stimuli used to measure temporal sensitivity are described and the linear systems theory is reviewed in terms of temporal sensitivity. A working model which represents temporal sensitivity is proposed. The visibility of a number of temporal wave forms, sinusoids, rectangular pulses, and pulse pairs, is analyzed. The relation between spatial and temporal effects is studied. Temporal variations induced by image motion and the effects of light adaptation on temporal sensitivity are considered.

Watson, Andrew B.↗

Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity

Determining the factors that influence and can help predict energetic material sensitivity has long been a challenge in the explosives community. Decades of literature reports identify a multitude of factors both chemical and physical that influence explosive sensitivity; however no unifying theory has been observed. Recent work by our team has demonstrated that the kinetics of “trigger linkages” (i.e., the weakest bonds in the energetic material) showed strong correlations with experimental drop hammer impact sensitivity. These correlations suggest that the simple kinetics of the first bonds to break are good indicators for the reactivity observed in simple handling sensitivity tests. Herein we report the synthesis of derivatives of the explosive pentaerythritol tetranitrate (PETN) in which one, two or three of the nitrate ester functional groups are substituted with an inert group. Experimental and computational studies show that explosive sensitivity correlates well with Q (heat of explosion), due to the change in the number of trigger linkages removed from the starting material. In addition, this correlation appears more significant than other observed chemical or physical effects imparted on the material by different inert functional groups, such as heat of formation, heat of explosion, heat capacity, oxygen balance, and the crystal structure of the material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved nuclear-structure corrections to the hyperfine splitting of electronic and muonic deuterium

We calculate the nuclear-structure correction to the hyperfine splitting in both electronic and muonic deuterium using interactions from chiral effective field theory. We explore the sensitivity to different parameterizations of the nucleon-nucleon force, study the convergence pattern in the order-by-order chiral expansion, and estimate remaining uncertainties. Our results are consistent with earlier calculations from pionless effective field theory, offering new insights for a robust uncertainty quantification. Thanks to the order-of-magnitude reduction in uncertainty achieved with chiral effective field theory, the two-photon exchange contribution in electronic deuterium agrees with experimental extractions within 0.5σ, in contrast to the 2.6σ discrepancy observed in muonic deuterium. This study lays the groundwork for extending TPE calculations to HFS in heavier atomic systems.

Chiral effective field theory↗

Revisiting proton–proton fusion in chiral effective field theory

We calculate the S-factor for proton–proton fusion using chiral effective field theory interactions and currents. By performing order-by-order calculations with a variety of chiral interactions that are regularized and calibrated in different ways, we assess the uncertainty in the S-factor from the truncation of the effective field theory expansion and from the sensitivity of the S-factor to the short-distance axial current determined from three- and four-nucleon observables. We find that S(0) = (4.100 ± 0.024(syst) ± 0.013(stat) ± 0.008(g$_{A}$)) × 10$^{−23}$ MeV fm$^{2}$, where the three uncertainties arise, respectively, from the truncation of the effective field theory expansion, use of the two-nucleon axial current fit to few-nucleon observables and variation of the axial coupling constant within the recommended range. The increased value of S(0) compared to previous calculations is mainly driven by an increase in the recommended value for the axial coupling constant and is in agreement with a recent analysis based on pionless effective field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Characterization of iron-doped lithium niobate for holographic storage applications

A comprehensive characterization of chemical and holographic properties of eight systematically chosen Fe:LiNbO3 crystals is performed in order to determine optimum performance of the crystals in holographic storage and display applications. The discussion covers determination of Fe(2+) and Fe(3+) ion concentrations in Fe:LiNbO3 system from optical absorption and EPR measurements; establishment of the relation between the photorefractive sensitivity of Fe(2+) and Fe(3+) concentrations; study of the spectral dependence, the effect of oxygen annealing, and of other impurities on the photorefractive sensitivity; analysis of the diffraction efficiency curves for different crystals and corresponding sensitivities with the dynamic theory of hologram formation; and determination of the bulk photovoltaic fields as a function of Fe(2+) concentrations. In addition to the absolute Fe(2+) concentration, the relative concentrations of Fe(2+) and Fe(3+) ions are also important in determining the photorefractive sensitivity. There exists an optimal set of crystal characteristics for which the photorefractive sensitivity is most favorable.

Shah, R. R.↗

Swept-Wing Receptivity Studies Using Distributed Roughness

Transition to turbulence in swept-wing flows has resisted correlation with linear theory because of its sensitivity to freestream conditions and 3-D roughness and because one of the principal instability modes quickly 'becomes nonlinear. In the face of such a formidable problem, two rather long-term fundamental efforts have been underway at DLR Gottinberg and Arizona State University that address swept-wing transition. These efforts have been recently reviewed by Bippes (1997) and Reibert and Saric (1997). Thus, the present work is a continuation of a series of studies on swept-wing boundary layers which have led to a better understanding of the transition process. In particular, we have taken advantage of the sensitivity to 3-D roughness and the modal nature of the instability in order to propose a particular control strategy. Complementing the two aforementioned reviews, general reviews of the swept-wing transition problem are found in Arnal (1997) and Kachanov (1996). Other recent reviews include Reshotko (t997), Crouch (1997), and Herbert (1997a,b). The failure of linear theory is discussed in Reed et al. (1996). The historical work is found in Reed and Sar-ic (1989). The basic idea is that the combination of sweep and chordwise pressure gradient within the boundary layer creates a velocity component perpendicular to the inviscid streamline. This crossflow profile is inflectional and exhibits both traveling and stationary unstable waves called crossflow vortices that are (approximately) aligned along the inviscid streamlines. Under conditions of low freestream turbulence levels, the dominant crossflow wave is stationary (Reibert and Saric t997) while moderate to high turbulence levels initiate dominant traveling waves (Dehle and Bippes 1996; Bippes 1997). 'Me mechanism is relatively insensitive to sound and 2-D surface roughness (Radeztsky et al. 1993) but very sensitive to 3-D roughness near the attachment line. We concentrate our work on low-turbulence freestream flows and stationary crossflow waves. Although the v' and w' components of the disturbances are very small, by convecting streamwise momentum in the wall-normal direction, they produce 0(l) changes inu'.Thus the mean flow is highly distorted with localized inflection points. Transition is then triggered by a high-frequency secondary instability of the distorted mean profile.

Saric, William S.↗

Implementation and testing of the GPT sensitivities in TRIPOLI-4

Computing the sensitivity of given reactor parameters with respect to nuclear data is mandatory in key applications such as the assessment of reactor safety or core design. In recent years, the development of Monte Carlo methods capable of estimating sensitivity coefficients based on the Standard or Generalized Perturbation Theory (SPT and GPT, respectively) has attracted intensive research efforts, especially in view of having reference golden standard simulations to be compared to faster but approximate deterministic calculations. Following our previous implementation and validation of the SPT functionalities in the Monte Carlo TRIPOLI-4, devoted to the sensitivity of the k eigenvalue, in this work we detail the development of GPT methods for ratios of reaction rates, and validate them against a few relevant benchmark results. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design of a Laboratory Hall Thruster with Magnetically Shielded Channel Walls, Phase III: Comparison of Theory with Experiment

A proof-of-principle effort to demonstrate a technique by which erosion of the acceleration channel in Hall thrusters of the magnetic-layer type can be eliminated has been completed. The first principles of the technique, now known as "magnetic shielding," were derived based on the findings of numerical simulations in 2-D axisymmetric geometry. The simulations, in turn, guided the modification of an existing 6-kW laboratory Hall thruster. This magnetically shielded (MS) thruster was then built and tested. Because neither theory nor experiment alone can validate fully the first principles of the technique, the objective of the 2-yr effort was twofold: (1) to demonstrate in the laboratory that the erosion rates can be reduced by >order of magnitude, and (2) to demonstrate that the near-wall plasma properties can be altered according to the theoretical predictions. This paper concludes the demonstration of magnetic shielding by reporting on a wide range of comparisons between results from numerical simulations and laboratory diagnostics. Collectively, we find that the comparisons validate the theory. Near the walls of the MS thruster, theory and experiment agree: (1) the plasma potential has been sustained at values near the discharge voltage, and (2) the electron temperature has been lowered by at least 2.5-3 times compared to the unshielded (US) thruster. Also, based on carbon deposition measurements, the erosion rates at the inner and outer walls of the MS thruster are found to be lower by at least 2300 and 1875 times, respectively. Erosion was so low along these walls that the rates were below the resolution of the profilometer. Using a sputtering yield model with an energy threshold of 25 V, the simulations predict a reduction of ~600 at the MS inner wall. At the outer wall ion energies are computed to be below 25 V, for which case we set the erosion to zero in the simulations. When a 50-V threshold is used the computed ion energies are below the threshold at both sides of the channel. Uncertainties, sensitivities and differences between theory and experiment are also discussed.

plasma simulations↗

Probing exciton/exciton interactions with entangled photons: Theory

Quantum entangled photons provide a sensitive probe of many-body interactions and offer a unique experimental portal for quantifying many-body correlations in a material system. In this paper, we present a theoretical demonstration of how photon–photon entanglement can be generated via interactions between coupled qubits. Here, we develop a model for the scattering of an entangled pair of photons from a molecular dimer. We develop a diagrammatic theory for the scattering matrix and show that one can correlate the von Neumann entropy of the outgoing bi-photon wave function with exciton exchange and repulsion interactions. Finally, we conclude by discussing possible experimental scenarios for realizing these ideas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shape-Controlled NaTaO 3 by Flux-Mediated Synthesis

NaTaO 3 is a stable and wide bandgap n-type semiconductor material with many different applications. Here, a flux-mediated synthesis method is presented for NaTaO 3 resulting in highly distinctive, substrate covering shapes via precursor chemistry variation at comparatively low temperatures. It is found that the microstructure of the resulting NaTaO 3 films can be varied from nanocubes to smooth thin films. These shapes and surface chemistries can be correlated by employing density functional theory calculations and surface sensitive X-ray photoemission spectroscopy. This study provides guidance on how to synthesize the material and tailor its shape and surface termination for different applications. Finally, as a proof of concept of one possible application, NaTaO 3 is applied to perovskite solar cells as the electron transport layer, resulting in conversion efficiencies of >19%. Further, this study provides a new strategy for designing ternary oxide thin films for renewable energy applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Excitonic density wave and spin-valley superfluid in bilayer transition metal dichalcogenide

Artificial moiré superlattices in 2 d van der Waals heterostructures are a new venue for realizing and controlling correlated electronic phenomena. Recently, twisted bilayer WSe 2 emerged as a new robust moiré system hosting a correlated insulator at moiré half-filling over a range of twist angle. In this work, we present a theory of this insulating state as an excitonic density wave due to intervalley electron–hole pairing. We show that exciton condensation is strongly enhanced by a van Hove singularity near the Fermi level. Our theory explains the remarkable sensitivity of the insulating gap to the vertical electric field. In contrast, the gap is weakly reduced by a perpendicular magnetic field, with quadratic dependence at low field. The different responses to electric and magnetic field can be understood in terms of pair-breaking versus non-pair-breaking effects in a BCS analog of the system. We further predict superfluid spin transport in this electrical insulator, which can be detected by optical spin injection and spatial-temporal imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Bayesian analysis of (3 +1)⁢D relativistic nuclear dynamics with the RHIC beam energy scan data

This work presents a Bayesian inference study for relativistic heavy-ion collisions in the beam energy scan program at the BNL Relativistic Heavy-Ion Collider. The theoretical model simulates event-by-event (3+1)-dimensional [(3+1)⁢D] collision dynamics using hydrodynamics and hadronic transport theory. We analyze the model's 20-dimensional posterior distributions obtained using three model emulators with different accuracy and demonstrate the essential role of training an accurate model emulator in the Bayesian analysis. Our analysis provides robust constraints on the quark-gluon plasma's transport properties and various aspects of (3+1)⁢D relativistic nuclear dynamics. By running full model simulations with 100 parameter sets sampled from the posterior distribution, we make predictions for p T -differential observables and estimate their systematic theory uncertainty. Here, a sensitivity analysis is performed to elucidate how individual experimental observables respond to different model parameters, providing useful physics insights into the phenomenological model for heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of Thermal Scattering Law on Similarity Assessment in Light-Water or Polyethylene-Moderated Systems

A collaborative effort between Pacific Northwest National Laboratory (PNNL) and Oak Ridge National Laboratory (ORNL) is underway to provide a technical basis and methodology for the criticality safety community to use the sum of fractions (SoF) method for generating limits for mixtures of “selected actinide nuclides” included in the ANSI/ANS 8.15 standard. The PNNL scope in this project is to define a range of mixtures of 233 U, 235 U, and 239 Pu moderated with either light water or polyethylene and to examine the critical masses for these mixtures. The ORNL scope is primarily to provide validation support for these studies. More complete discussion of the project and its validation aspects will be presented at the upcoming International Conference on Nuclear Criticality Safety (ICNC) this Fall in Sendai, Japan. Clear differences in benchmark similarity to application systems as assessed by the integral parameter ck are noted in the validation studies performed as part of this project as a function of moderator. The c k value is a correlation coefficient that represents that amount of shared uncertainty in k eff due to cross sections between two systems. Individual nuclide-reaction contributions between the two systems can be simply summed to arrive at the total c k value. Specifically, the c k values for light-water–moderated solution experiments are higher for a water-moderated application than for a polyethylene-moderated application. This result is neither totally unexpected nor surprising, but the magnitude of the difference was difficult to anticipate. The TSUNAMI sequence, in the SCALE 6.2.4 code package developed by ORNL, was used to generate eigenvalues and reactivity effects with perturbation-theory based approach through sensitivity coefficients for all nuclides in the system with all reactions and energy groups. The TSUNAMI-Indices and Parameters (IP) sequence then uses the sensitivity data generated through TSUNAMI to generate relational parameters (i.e., c k ) to determine the degree of similarity between systems. One detail of the SCALE material and data implementation must be discussed at this point. Several thermal scattering laws (TSLs) are available for 1 H. SCALE uses a different nuclide ID number for each TSL; essentially, each version of 1 H is treated as a unique nuclide. For example, 1 H bound in water ( 1 H-H2O) is assigned the nuclide ID 1001, whereas 1 H bound in polyethylene (h-poly) is assigned the nuclide ID 9001001. The same cross section data are used for all reactions in 1 H, regardless of TSL, except for scattering below the TSL cutoff energy. TSUNAMI-IP treats different nuclide IDs as different nuclides; thus, no uncertainty is shared between 1 H-H2O and h-poly, despite much of the same data, including covariance data, being used for both nuclides. This presents a question: how much of the difference in assessed similarity between water- and polyethylene-moderated systems is due to the moderators, and how much is caused by the treatment of 1 H-H2O and h poly with cross section and covariance data. The extended edits generated by TSUANMI-IP allow for an investigation of this issue specifically, as well as a demonstration of the general techniques available within TSUNAMI to understand the results of the similarity assessment. This paper presents and analyzes the similarity assessment of both water- and polyethylene-moderated systems for a single benchmark: PST-002-001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effects of head-down bed rest on complex heart rate variability: Response to LBNP testing

Head-down bed rest is used to model physiological changes during spaceflight. We postulated that bed rest would decrease the degree of complex physiological heart rate variability. We analyzed continuous heart rate data from digitized Holter recordings in eight healthy female volunteers (age 28-34 yr) who underwent a 13-day 6 deg head-down bed rest study with serial lower body negative pressure (LBNP) trials. Heart rate variability was measured on a 4-min data sets using conventional time and frequency domain measures as well as with a new measure of signal 'complexity' (approximate entropy). Data were obtained pre-bed rest (control), during bed rest (day 4 and day 9 or 11), and 2 days post-bed rest (recovery). Tolerance to LBNP was significantly reduced on both bed rest days vs. pre-bed rest. Heart rate variability was assessed at peak LBNP. Heart rate approximate entropy was significantly decreased at day 4 and day 9 or 11, returning toward normal during recovery. Heart rate standard deviation and the ratio of high- to low-power frequency did not change significantly. We conclude that short-term bed rest is associated with a decrease in the complex variability of heart rate during LBNP testing in healthy young adult women. Measurement of heart rate complexity, using a method derived from nonlinear dynamics ('chaos theory'), may provide a sensitive marker of this loss of physiological variability, complementing conventional time and frequency domain statistical measures.

Goldberger, Ary L.↗