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At least 1,495 records · Page 83

Quantifying the Energy Budget in the Solar Wind from 13.3 to 100 Solar Radii

A variety of energy sources, ranging from dynamic processes, such as magnetic reconnection and waves, to quasi steady terms, such as plasma pressure, may contribute to the acceleration of the solar wind. We utilize a combination of charged particle and magnetic field observations from the Parker Solar Probe (PSP) to attempt to quantify the steady-state contribution of the proton pressure, the electric potential, and the wave energy to the solar wind proton acceleration observed by PSP between 13.3 and ∼100 solar radii (R☉). The proton pressure provides a natural kinematic driver of the outflow. The ambipolar electric potential acts to couple the electron pressure to the protons, providing another definite proton acceleration term. Fluctuations and waves, while inherently dynamic, can act as an additional effective steady-state pressure term. To analyze the contributions of these terms, we utilize radial binning of single-point PSP measurements, as well as repeated crossings of the same stream at different distances on individual PSP orbits (i.e., fast radial scans). In agreement with previous work, we find that the electric potential contains sufficient energy to fully explain the acceleration of the slower wind streams. On the other hand, we find that the wave pressure plays an increasingly important role in the faster wind streams. The combination of these terms can explain the continuing acceleration of both slow and fast wind streams beyond 13.3 R☉.

J S Halekas↗

The GEODYN Precision Orbit Determination Software

GEODYN-II is NASA’s state-of-the-art geodetic parameter estimation and precision orbit determination (POD) system, developed at Goddard Space Flight Center and maintained within the Geodesy and Geophysics Laboratory. GEODYN supports POD and geodetic parameter estimation for both Earth orbiting and planetary/planetary body missions. It implements a comprehensive set of high-fidelity force models for integrating satellite orbits. GEODYN supports approximately 100 measurement types, including support for Global Navigation Satellite System (GNSS), Satellite Laser Ranging (SLR), Doppler Orbitography and Radio positioning Integrated by Satellite (DORIS), Very Long Base Interferometry (VLBI), landmark (camera data), landmark crossovers, radar and laser direct altimeter ranging, and dynamic altimetry crossovers.

Joseph B Nicholas↗

Microscopic theory of onset of decaging and bond-breaking activated dynamics in ultradense fluids with strong short-range attractions

We theoretically study thermally activated “in cage” elementary dynamical processes that precede full structural relaxation in ultra-dense particle liquids interacting via strong short range attractive forces. The analysis is based on a microscopic theory formulated at the particle trajectory level built on the dynamic free energy concept and an explicit treatment of how attractive forces control the formation and lifetime of physical bonds. Mean time scales for bond breaking, the early stage of cage escape, and non-Fickian displacement by a fixed amount are analyzed in the repulsive glass, bonded repulsive (attractive) glass, fluid, and dense gel regimes. The theory predicts a strong length-scale-dependent growth of these time scales with attractive force strength at fixed packing fraction, a much weaker slowing down with density at fixed attraction strength, and a strong decoupling of the shorter bond breaking time with the other two time scales that are controlled mainly by perturbed steric caging. All results are in good accord with simulations, and additional testable predictions are made. In conclusion, the classic statistical mechanical projection approximation of replacing all bare attractive and repulsive forces with a single effective force determined by pair structure incurs major errors for describing processes associated with thermally activated escape from transiently localized states.

36 MATERIALS SCIENCE↗

A wide-range thermodynamically consistent constitutive model for dynamic loading of partially saturated porous media

SUMMARY This paper presents a novel thermodynamically consistent constitutive model for partially saturated porous rocks across a wide range of conditions. The material states generated behind the shock wave from an explosive source can vary significantly, ranging from crushed and melted rock near the source to a poroelastic medium in the far field. In the model, rock strength is determined by the effective pressure, which is calculated using two independent equations of state: one for the solid rock and another for the pore fluid. The model accounts for shock-induced liquefaction resulting from fluid pressure buildup in the pore spaces near the explosive source. Simultaneously, it describes the increase in wave propagation speed due to elastic pore contraction in both dry and partially saturated rocks. This model is applied to investigate how fluid saturation affects the amplitude and shape of the generated waves, as well as the residual stress surrounding the cavity formed by spherical explosions.

Vorobiev, Oleg [Lawrence Livermore National Labora↗

Simulation of the photodetachment spectra of the nitrate anion (NO 3 ₋ ) in the B ~ 2 E' energy range and non-adiabatic electronic population dynamics of NO 3

The photodetachment spectrum of the nitrate anion (NO 3 ₋ ) in the energy range of the NO 3 second excited state is simulated from first principles using quantum wave packet dynamics. The prediction at 10 K and 435 K relies on the use of an accurate full-dimensional fully coupled five state diabatic potential model utilizing an artificial neural network. The ability of this model to reproduce experimental spectra was demonstrated recently for the lower energy range. Analysis of the spectra indicates a weaker Jahn–Teller coupling compared to the first excited state. The detailed non-adiabatic dynamics is studied by computing the population dynamics. An ultra-fast non-statistical radiationless decay is found only among the Jahn–Teller components, which is followed by a slow statistical non-radiative decay among the different state manifolds. The latter is reproduced perfectly by a simple first order kinetics model. The dynamics in the second excited state is not affected by the presence of a conical intersection with the first excited state manifold.

36 MATERIALS SCIENCE↗

Parameterizing Coefficients of a POD-Based Dynamical System

A method of parameterizing the coefficients of a dynamical system based of a proper orthogonal decomposition (POD) representing the flow dynamics of a viscous fluid has been introduced. (A brief description of POD is presented in the immediately preceding article.) The present parameterization method is intended to enable construction of the dynamical system to accurately represent the temporal evolution of the flow dynamics over a range of Reynolds numbers. The need for this or a similar method arises as follows: A procedure that includes direct numerical simulation followed by POD, followed by Galerkin projection to a dynamical system has been proven to enable representation of flow dynamics by a low-dimensional model at the Reynolds number of the simulation. However, a more difficult task is to obtain models that are valid over a range of Reynolds numbers. Extrapolation of low-dimensional models by use of straightforward Reynolds-number-based parameter continuation has proven to be inadequate for successful prediction of flows. A key part of the problem of constructing a dynamical system to accurately represent the temporal evolution of the flow dynamics over a range of Reynolds numbers is the problem of understanding and providing for the variation of the coefficients of the dynamical system with the Reynolds number. Prior methods do not enable capture of temporal dynamics over ranges of Reynolds numbers in low-dimensional models, and are not even satisfactory when large numbers of modes are used. The basic idea of the present method is to solve the problem through a suitable parameterization of the coefficients of the dynamical system. The parameterization computations involve utilization of the transfer of kinetic energy between modes as a function of Reynolds number. The thus-parameterized dynamical system accurately predicts the flow dynamics and is applicable to a range of flow problems in the dynamical regime around the Hopf bifurcation. Parameter-continuation software can be used on the parameterized dynamical system to derive a bifurcation diagram that accurately predicts the temporal flow behavior.

Kalb, Virginia L.↗

Approaches and possible improvements in the area of multibody dynamics modeling

A wide ranging look is taken at issues involved in the dynamic modeling of complex, multibodied orbiting space systems. Capabilities and limitations of two major codes (DISCOS, TREETOPS) are assessed and possible extensions to the CONTOPS software are outlined. In addition, recommendations are made concerning the direction future development should take in order to achieve higher fidelity, more computationally efficient multibody software solutions.

Lips, K. W.↗

Second Target Station Project (CHESS Technical Report)

CHESS is a direct geometry neutron spectrometer designed to detect and analyze weak signals intrinsic to small cross-sections (e.g., small mass, small magnetic moments or neutron absorbing materials). This instrument is optimized to enable unprecedented characterization of quantum materials, spin liquids, thermoelectric and battery materials, liquids, and soft matter. The ability to simultaneously measure dynamic processes over a wide energy range for very small samples will make CHESS the spectrometer of choice for the initial exploration of new materials. The broad dynamic range will also be well matched to measurements of relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of STS enables use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single experiment. An essential feature of CHESS is the capability for polarization analysis to separate nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials, and better understanding spin-anisotropic correlations. This instrument will employ advanced sample environments such as high-pressure cells, dilution refrigerators, high field cryo-magnets and polarization devices, as well as combinations of these, to solve problems at the forefront of materials research. CHESS will be one of the flagship spectrometers of the Second Target Station (STS), providing world leading capabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Complex Dynamics in Argyrodite Solid-State Ion Conductors

Argyrodites are a compositionally diverse family of materials that exhibit remarkable ion transport properties. While the average crystal structures of argyrodites have been extensively studied, ion transport in these materials is governed by a confluence of dynamic processes spanning the cation, anion, and polyanionic sublattices. This Perspective synthesizes recent advances in understanding the role of dynamics in structural behavior and ion transport properties. We examine the compositional and structural motifs that govern order−disorder transitions within the argyrodite family and further explore how ion hopping is facilitated by lattice dynamics, from long-range phonons to local rotational dynamics of polyanionic species. Through the lens of dynamics spanning multiple time and length scales, we establish guiding principles that govern transport phenomena and highlight avenues of future study for the argyrodite family of ion conductors.

36 MATERIALS SCIENCE↗

Ba ( Ti 1 - x , Zr x ) O 3 relaxors: Dynamic ferroelectrics in the gigahertz frequency range

Relaxor ferroelectrics are of great scientific and technological significance as they exhibit large and unusual responses to external stimuli. Their hallmark features are broadness and frequency dispersion of the peak in the temperature dependence of the dielectric constant. Both are believed to originate from the dynamics of polar nanoregions. Here, we apply first-principles-based molecular dynamics to resolve the gigahertz electric response of dynamically poled Ba (Ti 1 - x , Zr x ) O 3 ferroelectric relaxors that remained overlooked so far. We find that (i) the hallmark relaxor features continue to persist even in the dynamically poled structures, but do not necessarily originate from the polar nanoregions dynamics; (ii) dynamically poled samples exhibit polarization aging which leads to the frequency dependence of both remnant polarization and the Curie temperature; (iii) “dynamical” nature of the latter naturally explains the frequency dependence of the dielectric susceptibility maximum in dynamically poled Ba (Ti 1 - x , Zr x) O 3 ; and (iv) incorporation of the polarization aging into dielectric susceptibility expression explains its enhancing contribution in an intuitive way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of Synoptic-Dynamic Meteorology on the Long-Range Transport of Indochina Biomass Burning Aerosols

Impacts of long-range transported biomass burning aerosols from northern Indochina on regional air quality, atmospheric visibility, and climate effects have been discussed extensively in the literature over the past decade. However, the mechanism between aerosol transport and the low-level jet (LLJ) in synoptic meteorology dynamics (e.g., the frontal system) is still not fully understood. In this study, we present results of aerosol-LLJ interaction based on the National Aeronautics and Space Administration/Modern Era Retrospective-analysis for Research and Application version 2 (NASA/MERRA-2) dataset simultaneous to field campaigns in spring 2013–2015 over Southeast Asia. For linking the atmospheric circulation to aerosol transport, a general meteorological condition favorable for aerosol transport is demonstrated. Biomass burning aerosol accumulation over the source region (i.e., northern Indochina) coincided with weak westerly system over the northern South China Sea, and as the synoptic weather system evolved, the aerosols were transported to downwind regions (i.e., Taiwan and West Pacific) by a cold front and LLJ dynamics. The MERRA-2 reanalysis data show the postcold front accompanied a LLJ stream at approximately 700 hPa (3 km) and accelerated the haze plume transport eastward with a life cycle of approximately 3–5 days, an event that reoccurred multiple times from March to April. Our results indicate that coexistence of LLJ and a South China Sea anticyclone at 700 hPa, which primarily could drive the mechanism behind these transport events. Furthermore, more observational data from Southeast Asia would greatly benefit studies of aerosol-meteorology interactions in the region.

Hsiang-Yu Huang↗

On the spatial range of validity of the gas dynamic model in the magnetosheath of Venus

In the past, the global solar wind interaction with Venus has been treated with gas dynamic models which, while successful in modeling some of the global characteristics of the interaction, do not include the magnetic barrier in a self-consistent manner. This magnetic barrier is formed in the inner magnetosheath where it transfers solar wind momentum flux to the obstacle via magnetic pressure. In this study, we examine the extent to which the gas dynamic fluid approximation describes the magnetic field in the dayside Venus magnetosheath by comparing with two gas dynamic models, one which matches the observed ionopause location and one which matches the bow shock location. We find that each model predicts the field profile reasonably well in the vicinity of the matched bow shock or ionopause, but neither model provides an adequate model over the entire range from the ionopause to the bow shock.

Zhang, T. L.↗

The Global Ecosystem Dynamics Investigation: High-Resolution Laser Ranging of the Earth’s Forests and Topography

Obtaining accurate and widespread measurements of the vertical structure of the Earth’s forests has been a longsought goal for the ecological community. Such observations are critical for accurately assessing the existing biomass of forests, and how changes in this biomass caused by human activities or variations in climate may impact atmospheric CO2 concentrations. Additionally, the three-dimensional structure of forests is a key component of habitat quality and biodiversity at local to regional scales. The Global Ecosystem Dynamics Investigation (GEDI) was launched to the International Space Station in late 2018 to provide high-quality measurements of forest vertical structure in temperate and tropical forests between 51.6 N & S latitude. The GEDI instrument is a geodetic-class laser altimeter/waveform lidar comprised of 3 lasers that produce 8 transects of structural information. Over its two-year nominal lifetime GEDI is anticipated to provide over 10 billion waveforms at a footprint resolution of 25 m. These data will be used to derive a variety of footprint and gridded products, including canopy height, canopy foliar profiles, Leaf Area Index (LAI), sub-canopy topography and biomass. Additionally, data from GEDI are used to demonstrate the efficacy of its measurements for prognostic ecosystem modeling, habit and biodiversity studies, and for fusion using radar and other remote sensing instruments. GEDI science and technology are unique: no other space-based mission has been created that is specifically optimized for retrieving vegetation vertical structure. As such, GEDI promises to advance our understanding of the importance of canopy vertical variations within an ecological paradigm based on structure, composition and function.

Dubayah, Ralph↗

Polar motion and length of day determination from satellite laser ranging

The kinematic and dynamic models used in obtaining the GSFC MERIT solution (using data from satellite laser ranging) for the x and y coordinates of the earth's rotation pole and the excess length-of-day (LOD) are discussed together with the analysis technique. Comparisons of the GSFC polar motion time series with the time series from the Bureau International de l'Heure shows small but consistent systematic differences (4.6 milliarcsec rms about a mean offset of 1 milliarcsec in the x component, and 2.9 milliarcsec rms about a 21 milliarcsec offset in the y component). A comparison with the data of the National Geodetic Survey's IRIS network shows departures of 2.5 milliarcsec rms about the mean for the x component and 2.0 milliarcsec rms for the y component. The precision of the GSFC earth orientation is estimated to be better than 1 milliarcsec for polar motion and 0.1 msec for excess LOD.

Smith, David E.↗

Three-dimensional atomic packing in amorphous solids with liquid-like structure

Liquids and solids are two fundamental states of matter. However, our understanding of their three-dimensional atomic structure is mostly based on physical models. Here we use atomic electron tomography to experimentally determine the three-dimensional atomic positions of monatomic amorphous solids, namely a Ta thin film and two Pd nanoparticles. We observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Instead of forming icosahedra, the majority of pentagonal bipyramids arrange into pentagonal bipyramid networks with medium-range order. Molecular dynamics simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic metallic liquids, which rapidly grow in size and form more icosahedra during the quench from the liquid to the glass state. Furthermore, these results expand our understanding of the atomic structures of amorphous solids and will encourage future studies on amorphous–crystalline phase and glass transitions in non-crystalline materials with three-dimensional atomic resolution.

36 MATERIALS SCIENCE↗

NaGaS 2 - an Elusive Layered Compound with Dynamic Water Absorption and Wide-Ranging Ion Exchange Properties

Most ternary sulfides belonging to the MGaS 2 structure-type have been known for many years and are well-characterized. Surprisingly, there have been no reports of the NaGaS 2 composition, which contains Na, a monovalent cation slightly larger in size than Li, found in LiGaS 2 , a compound known for its non-linear optical properties. Herein we demonstrate for the first time that the unique reversible water absorption in NaGaS 2 has resulted in its absence from the literature due to the difficulties that one encounters when characterizing this compound by SC XRD. The layered structure of this compound coupled with uniquely easy migration of water molecules between the layers allows for ion exchange with 3d and 5f metal cations. We established that some cations, e.g. Ni 2+ , facilitate exfoliation of the layers, providing a facile synthetic route to a new class of 2D chalcogenide materials and, in addition, demonstrating that NaGaS 2 can readily uptake uranyl species from aqueous solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗

Tunable and Degradable Dynamic Thermosets from Compatibilized Polyhydroxyalkanoate Blends

Polyhydroxyalkanoates (PHAs) are versatile, biobased polyesters that are often targeted for use as degradable thermoplastic replacements for polyolefins. Given the substantial chemical diversity of PHA, their potential as cross-linked polymers could also enable similar platforms for reversible, degradable thermosets. In this work, we genetically engineered Pseudomonas putida KT2440 to synthesize poly(3-hydroxybutyrate-co-3-hydroxyundecenoate) (PHBU), which contains both 3-hydroxybutyrate and unsaturated 3-hydroxyundecenoate components. To reduce the brittleness of this polymer, we physically blended PHBU with the soft copolymer poly(3-hydroxydecanonate-co-3-hydroxyundecenoate) in mass ratios of 1:3, 1:1, and 3:1. Upon observing varying degrees of immiscibility by scanning electron microscopy, we installed dynamic boronic ester cross-links via thiol–ene click chemistry, which resulted in compatibilized dynamic thermoset blends ranging in hard, medium, and soft rubber or elastomer thermomechanical profiles. These dynamic thermoset blends were subjected to controlled biological degradation experiments in freshwater conditions, achieving timely mass loss despite the cross-linked architectures. Overall, this work highlights a two-component platform for the production of degradable and reprocessable dynamic thermoset blends suitable for several classes of cross-linked polymer technologies from tailored, biological PHA copolymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗