Measuring Fission Chain Dynamics Through Inter-event Timing of Correlated Particles.
Abstract not provided.
Monterial, Mateusz↗
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Measuring Fission Chain Dynamics Through Inter-event Timing of Correlated Particles.
Abstract not provided.
Monterial, Mateusz↗
Quantitative evaluation of water bodies dynamic by means of thermal infrared and multispectral surveys on the Venetian lagoon
Surveys employing a two channel Daedalus infrared scanner and multispectral photography were performed. The spring waning tide, the velocity of the water mass, and the types of suspended matter were among the topics studied. Temperature, salinity, sediment transport, and ebb stream velocity were recorded. The bottom topography was correlated with the dynamic characteristics of the sea surface.
Alberotanza, L.↗
All-Inorganic Halide Perovskites as Potential Thermoelectric Materials: Dynamic Cation off-Centering Induces Ultralow Thermal Conductivity
Halide perovskites are anticipated to impact next generation high performance solar cells because of their extraordinary charge transport and optoelectronic properties. However, their thermal transport behavior has received limited attention. In this work, we studied the thermal transport and thermoelectric properties of the CsSnBr 3–x I x perovskites. We find a strong correlation between lattice dynamics and an ultralow thermal conductivity for series CsSnBr 3–x I x reaching 0.32 Wm –1 K –1 at 550 K. The CsSnBr 3–x I x also possess a decent Seebeck coefficient and controllable electrical transport properties. The crystallography data and theoretical calculations suggest the Cs atom deviates from its ideal cuboctahedral geometry imposed by the perovskite cage and behaves as a heavy atom rattling oscillator. This off-center tendency of Cs, together with the distortion of SnX 6 (X = Br or I) octahedra, produces a highly dynamic and disordered structure in CsSnBr 3–x I x , which gives rise to a very low Debye temperature and phonon velocity. Moreover, the low temperature heat capacity data suggests strong coupling between the low frequency optical phonons and heat carrying acoustical phonons. In conclusion, this induces strong phonon resonance scattering that induces the ultralow lattice thermal conductivity of CsSnBr 3–x I x .
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Investigation of dynamic fracture behavior of additively manufactured Al-10Si-Mg using high-speed synchrotron X-ray imaging
The dynamic tensile properties of additively manufactured (AM) and cast Al-10Si-Mg alloy were disccused using high-speed synchrotron X-ray imaging coupled with a modified Kolsky bar apparatus. A controlled tensile loading (strain rate ≈ 750 s -1 ) was applied using the Kolsky bar apparatus and the deformation and fracture behavior were recorded using the high-speed X-ray imaging setup. The CT and high-speed imaging results worked together to identify the location of the critical flaw and to capture the dynamics of crack propagation. In all experiments, the critical flaw was located on the surface of each specimen. The AM specimens displayed significantly higher crack propagation speed, yield strength, ultimate tensile strength, strain hardening coefficient, and yet lower ductility compared to the cast specimens under dynamic tension. Although the strength values were higher for the AM specimens, the critical mode I stress intensity factors were comparable for both specimens. The microstructures of the samples were characterized by synchrotron X-ray computed tomography (CT) and scanning electron microcopy. The correlation between the dynamic fracture behavior of the samples and the microstructure of the samples is analyzed and discussed.
36 MATERIALS SCIENCE↗
Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes
Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction—ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. Lastly, this method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function
We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase δ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to δ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function S(q, ω) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, ω) can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Residual circulations calculated from satellite data: Their relations to observed temperature and ozone distributions
Monthly mean residual circulations were calculated from eight years of satellite data. The diabatic circulation is usually found to give a good approximation to the residual circulation, but this is not always the case. In particular, an example is shown at 60 deg S and 30 mbar where the diabatic and residual circulations show very different annual variations. Correlations between the vertical component of the residual circulation and temperature and ozone were computed. The computations indicate that yearly variations of temperatures in the tropics are under radiative control, except during stratospheric warmings. Interannual variations in seasonal mean temperatures are shown to be under dynamical control everywhere. Correlations between seasonal means of the vertical component of the residual circulation and ozone mixing ratios are consistent with what would be expected from the ozone variations being due to differences in the ozone transport, although transport effects cannot easily be distinguished from photochemical effects above the altitude of the ozone mixing ratio peak. Finally, variations in total ozone are examined in comparison with residual circulation variations. A one to two month phase lag is seen in the annual variation in the total ozone at 60 deg N with respect to the maximum downward residual motions. This phase lag is greater at 60 deg N than at 60 deg S. There is evidence at 60 deg S of a greater downward trend in the mean zonal ozone maxima than there is in the minima. A decreasing trend in the maximum descending motion is seen to accompany the ozone trend at 60 deg S.
Geller, Marvin A.↗
Residual circulations calculated from satellite data - Their relations to observed temperature and ozone distributions
Monthly mean residual circulations were calculated from eight years of satellite data. The diabatic circulation is usually found to give a good approximation to the residual circulation, but this is not always the case. In particular, an example is shown at 60 deg S and 30 mbar where the diabatic and residual circulations show very different annual variations. Correlations between the vertical component of the residual circulation and temperature and ozone were computed. The computations indicate that yearly variations of temperatures in the tropics are under radiative control, except during stratospheric warmings. Interannual variations in seasonal mean temperatures are shown to be under dynamical control everywhere. Correlations between seasonal means of the vertical component of the residual circulation and ozone mixing ratios are consistent with what would be expected from the ozone variations being due to differences in the ozone transport, although transport effects cannot easily be distinguished from photochemical effects above the altitude of the ozone mixing ratio peak. Finally, variations in total ozone are examined in comparison with residual circulation variations. A one to two month phase lag is seen in the annual variation in the total ozone at 60 deg N with respect to the maximum downward residual motions. This phase lag is greater at 60 deg N than at 60 deg S. There is evidence at 60 deg S of a greater downward trend in the mean zonal ozone maxima than there is in the minima. A decreasing trend in the maximum descending motion is seen to accompany the ozone trend at 60 deg S.
Geller, Marvin A.↗
Dynamic-stall and structural-modeling effects on helicopter blade stability with experimental correlation
The effects of blade and root-flexure elasticity and dynamic stall on the stability of hingeless rotor blades are investigated. The dynamic stall description is based on the ONERA models of lift, drag, and pitching moment. The structural analysis is based on three blade models that range from a rigid flap-lag model to two elastic flap-lag-torsion models, which differ in representing root-flexure elasticity. The predictions are correlated with the measured lag damping of an experimental isolated three-blade rotor; the correlation covers rotor operations from near-zero-thrust conditions in hover to highly stalled, high-thrust conditions in foward flight. That correlation shows sensitivity of lag-damping predictions to structural refinements in blade and root-flexure modeling. Moreover, this sensitivity increases with increasing control pitch angle and advance ratio. For high-advance-ratio and high-thrust conditions, inclusion of dynamic stall generally improves the correlation.
Barwey, D.↗
Orientational Pair Correlations and Local Structure of Benzonitrile from Molecular Dynamics Simulations with Comparisons to Experiments [plus supplemental information]
Here, we present an experimentally parametrized molecular dynamics study of single-molecule and collective orientational relaxation in neat benzonitrile through the analysis of the reorientational anisotropy and polarizability anisotropy time-correlation function (PA-TCF). The simulations show that the PA-TCF is dominated by collective reorientation after 20 ps. Collective reorientation is found to be slower than single-molecule reorientation by a factor of 1.67, consistent with recent experiments. The simulations provide direct evidence of local antiparallel benzonitrile configurations. These structures, which have been the center of some debate, are responsible for the slower rate of collective vs. single-molecule reorientation in the liquid. Further structural analysis indicates that significant Coulombic interactions between the nitrile group and hydrogen atoms on adjacent molecules play a role in the formation of the antiparallel structures. The single-molecule dynamics reflected in the anisotropy are complex and consist of a ballistic regime, restricted angular diffusion, and spatially anisotropic free diffusion. The principal components of the rotational diffusion tensor are independently obtained and shown to reproduce the free diffusion regime of the anisotropy for each principal axis according to the predictions of a previous theory.
14 SOLAR ENERGY↗
Quantum electron liquid and its possible phase transition
Purely quantum electron systems exhibit intriguing correlated electronic phases by virtue of quantum fluctuations in addition to electron–electron interactions. To realize such quantum electron systems, a key ingredient is dense electrons decoupled from other degrees of freedom. Here, we report the discovery of a pure quantum electron liquid that spreads up to ~3 Å in a vacuum on the surface of an electride crystal. Its extremely high electron density and weak hybridization with buried atomic orbitals show the quantum and pure nature of the electrons, which exhibit a polarized liquid phase, as demonstrated by our spin-dependent measurement. Furthermore, upon enhancing the electron correlation strength, the dynamics of the quantum electrons change to that of a non-Fermi liquid along with an anomalous band deformation, suggestive of a transition to a hexatic liquid crystal phase. Here, our findings develop the frontier of quantum electron systems and serve as a platform for exploring correlated electronic phases in a pure fashion.
36 MATERIALS SCIENCE↗
The interaction of an atmospheric pressure plasma jet with liquid water: dimple dynamics and its impact on crystal violet decomposition
Not Available
Kondeti, V. S. Santosh K. (ORCID:000000018825845X)↗
Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources
One of the important challenges in condensed matter science is to understand ultrafast, atomic-scale fluctuations that dictate dynamic processes in equilibrium and non-equilibrium materials. Here, we report an important step towards reaching that goal by using a state-of-the-art perfect crystal based split-and-delay system, capable of splitting individual X-ray pulses and introducing femtosecond to nanosecond time delays. We show the results of an ultrafast hard X-ray photon correlation spectroscopy experiment at LCLS where split X-ray pulses were used to measure the dynamics of gold nanoparticles suspended in hexane. We show how reliable speckle contrast values can be extracted even from very low intensity free electron laser (FEL) speckle patterns by applying maximum likelihood fitting, thus demonstrating the potential of a split-and-delay approach for dynamics measurements at FEL sources. This will enable the characterization of equilibrium and, importantly also reversible non-equilibrium processes in atomically disordered materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Probing the Self-Assembly dynamics of cellulose nanocrystals by X-ray photon correlation spectroscopy
Charge-stabilized colloidal cellulose nanocrystals (CNCs) can self-assemble into higher-ordered chiral nematic structures by varying the volume fraction. The assembly process exhibits distinct dynamics during the isotropic to liquid crystal phase transition, which can be elucidated using X-ray photon correlation spectroscopy (XPCS). Anionic CNCs were dispersed in propylene glycol (PG) and water spanning a range of volume fractions, encompassing several phase transitions. Coupled with traditional characterization techniques, XPCS was conducted to monitor the dynamic evolution of the different phases. Additionally, simulated XPCS results were obtained using colloidal rods and compared with the experimental data, offering additional insights into the dynamic behavior of the system. The results indicate that the particle dynamics of CNCs undergo a stepped decay in three stages during the self-assembly process in PG, coinciding with the observed phases. The phase transitions are associated with a total drop of Brownian diffusion rates by four orders of magnitude, a decrease of more than a thousand times slower than expected in an ideal system of repulsive Brownian rods. Given the similarity in the phase behaviors in CNCs dispersed in PG and in water, we hypothesize that these dynamic behaviors can be extrapolated to other polar solvent environments. Importantly, these findings represent the direct measurement of CNC dynamics using XPCS, underscoring the feasibility of directly assessing the dynamic behavior of other rod-like colloidal suspensions.
36 MATERIALS SCIENCE↗
Tracking the insulator-to-metal phase transition in VO 2 with few-femtosecond extreme UV transient absorption spectroscopy
We present coulomb correlations can manifest in exotic properties in solids, but how these properties can be accessed and ultimately manipulated in real time is not well understood. The insulator-to-metal phase transition in vanadium dioxide (VO 2 ) is a canonical example of such correlations. Here, few-femtosecond extreme UV transient absorption spectroscopy (FXTAS) at the vanadium M 2,3 edge is used to track the insulator-to-metal phase transition in VO 2 . This technique allows observation of the bulk material in real time, follows the photoexcitation process in both the insulating and metallic phases, probes the subsequent relaxation in the metallic phase, and measures the phase-transition dynamics in the insulating phase. An understanding of the VO 2 absorption spectrum in the extreme UV is developed using atomic cluster model calculations, revealing V 3+ /d 2 character of the vanadium center. We find that the insulator-to-metal phase transition occurs on a timescale of 26 ± 6 fs and leaves the system in a long-lived excited state of the metallic phase, driven by a change in orbital occupation. Potential interpretations based on electronic screening effects and lattice dynamics are discussed. A Mott–Hubbard-type mechanism is favored, as the observed timescales and d 2 nature of the vanadium metal centers are inconsistent with a Peierls driving force. In conclusion, the findings provide a combined experimental and theoretical roadmap for using time-resolved extreme UV spectroscopy to investigate nonequilibrium dynamics in strongly correlated materials.
36 MATERIALS SCIENCE↗
Calculation of self-diffusion coefficients in supercritical carbon dioxide using mean force kinetic theory
This paper presents an application of mean force kinetic theory (MFT) to the calculation of the self-diffusivity of CO 2 in the supercritical fluid regime. Two modifications to the typical application of MFT are employed to allow its application to a system of molecular species. Therefore, the first is the assumption that the inter-particle potential of mean force can be obtained from the molecule center-of-mass pair correlation function, which in the case of CO 2 is the C–C pair correlation function. The second is a new definition of the Enskog factor that describes the effect of correlations at the surface of the collision volume. The new definition retains the physical picture that this quantity represents a local density increase, resulting from particle correlations, relative to that in the zero density homogeneous fluid limit. These calculations are facilitated by the calculation of pair correlation functions from molecular dynamics (MD) simulations using the FEPM2 molecular CO2 model. The self-diffusivity calculated from theory is in good agreement with that from MD simulations up to and slightly beyond the density at the location of the Frenkel line. The calculation is compared with and is found to perform similarly well to other commonly used models but has a greater potential for application to systems of mixed species and to systems of particles with long range interatomic potentials due to electrostatic interactions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗