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At least 307 records · Page 17

Structural features of solid-solid phase transitions and lattice dynamics in U 3 O 8

Triuranium octoxide (U 3 O 8 ) undergoes an orthorhombic to hexagonal structural phase transition near Ts=305°C, and a separate nonstructural phase transition at Tc=210°C. The later transition has previously been associated with temperature-induced fluctuations in the uranium oxidation state. A discontinuity in the slope of electrical conductivity versus temperature measurement at 210°C has supported this idea. The orthorhombic phase has three crystallographic sites in two distinct oxidation configurations [2 U(V) and 1 U(VI)], whereas the hexagonal phase has one distinct uranium site. High-resolution x-ray diffraction measurements eliminate the possibility of superlattice Bragg reflections to less than 0.2 e - scattering power and U 3 O 8 is not metallic; consequently, the presence of oxidation fluctuations is required for charge balancing. Interestingly, the order-to-disorder transition occurs at a much lower temperature than the structural transition. Using temperature-dependent x-ray diffraction and Raman spectroscopy, we show anisotropic lattice expansion in the in-plane b and c lattice constants. A specific discontinuity in the temperature derivatives of the b and c lattice constants are the first reported structural signatures of the order-to-disorder transition, suggestive of a change in local U–O coordination. Phonon frequencies of U 3 O 8 measured by Raman spectroscopy show significant temperature-dependent dynamics. Redshifting of several modes between 40 and 300°C cannot be explained by unit cell expansion alone because the unit cell volume decreases in this region. Instead, we show that phonon frequencies are highly correlated with the anisotropic lattice expansion/contraction along specific crystallographic directions.

36 MATERIALS SCIENCE↗

Influences of Local Sea-Surface Temperatures and Large-scale Dynamics on Monthly Precipitation Inferred from Two 10-year GCM-Simulations

Two parallel sets of 10-year long: January 1, 1982 to December 31, 1991, simulations were made with the finite volume General Circulation Model (fvGCM) in which the model integrations were forced with prescribed sea-surface temperature fields (SSTs) available as two separate SST-datasets. One dataset contained naturally varying monthly SSTs for the chosen period, and the oth& had the 12-monthly mean SSTs for the same period. Plots of evaporation, precipitation, and atmosphere-column moisture convergence, binned by l C SST intervals show that except for the tropics, the precipitation is more strongly constrained by large-scale dynamics as opposed to local SST. Binning data by SST naturally provided an ensemble average of data contributed from disparate locations with same SST; such averages could be expected to mitigate all location related influences. However, the plots revealed: i) evaporation, vertical velocity, and precipitation are very robust and remarkably similar for each of the two simulations and even for the data from 1987-ENSO-year simulation; ii) while the evaporation increased monotonically with SST up to about 27 C, the precipitation did not; iii) precipitation correlated much better with the column vertical velocity as opposed to SST suggesting that the influence of dynamical circulation including non-local SSTs is stronger than local-SSTs. The precipitation fields were doubly binned with respect to SST and boundary-layer mass and/or moisture convergence. The analysis discerned the rate of change of precipitation with local SST as a sum of partial derivative of precipitation with local SST plus partial derivative of precipitation with boundary layer moisture convergence multiplied by the rate of change of boundary-layer moisture convergence with SST (see Eqn. 3 of Section 4.5). This analysis is mathematically rigorous as well as provides a quantitative measure of the influence of local SST on the local precipitation. The results were recast to examine the dependence of local rainfall on local SSTs; it was discernible only in the tropics. Our methodology can be used for computing relationship between any forcing function and its effect(s) on a chosen field.

Sud, Y. C.↗

Structure, Dynamics, and Hydrogen Transport in Amorphous Polymers: An Analysis of the Interplay between Free Volume Element Distribution and Local Segmental Dynamics from Molecular Dynamics Simulations

Polymers are attractive membrane materials owing to their mechanical robustness and relatively inexpensive fabrication. An important indicator of membrane performance are free volume elements (FVE): microporous void spaces created by the inefficient packing of bulky groups along the polymer chain. FVEs tend to degrade over time, as polymer chains reorganize irreversibly. While it is widely accepted that polymer flexibility has an impact on membrane transport properties, the molecular nature of this impact is still not well understood. By the establishment of a correlation between local chain dynamics and the distribution of free volume elements (FVEs), penetrant transport can be regulated more efficiently in amorphous polymer membranes. In this work, we implement all-atom molecular dynamics (MD) simulations to explore the relationship between chain dynamics and free volume in three polymers with different levels of backbone flexibility: polymethylpentene (PMP), polystyrene (PS), and HAB-6FDA thermally rearranged polymer (TRP). We construct these polymers at different temperatures and examine how temperature impacts the FVE distribution and segmental mobility. Our analysis shows that chain segments near FVEs have higher mobility compared with the atoms in the bulk; the extent of this difference increases with chain flexibility. Increasing the chain flexibility by increasing the temperature results in a broader FVE distribution. Rigid polymers such as TRP show the most robust FVE distribution and are not significantly affected by the temperature change. To capture penetrant diffusion through the polymer matrix, hydrogen is inserted and the diffusion is measured at different temperatures; hydrogen mobility is influenced by the FVE structure and overall mobility of polymer chains. Lastly, at low temperatures, hydrogen mobility is influenced by void distribution, while at high temperatures, polymer dynamics dictate hydrogen transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Glenn 1-by 1-Foot Supersonic Wind Tunnel User Manual

This manual describes the NASA Glenn Research Center's 1 - by 1 -Foot Supersonic Wind Tunnel and provides information for customers who wish to conduct experiments in this facility. Tunnel performance envelopes of total pressure, total temperature, and dynamic pressure as a function of test section Mach number are presented. For each Mach number, maps are presented of Reynolds number per foot as a function of the total air temperature at the test section inlet for constant total air pressure at the inlet. General support systems-such as the service air, combustion air, altitude exhaust system, auxiliary bleed system, model hydraulic system, schlieren system, model pressure-sensitive paint, and laser sheet system are discussed. In addition, instrumentation and data processing, acquisition systems are described, pretest meeting formats and schedules are outlined, and customer responsibilities and personnel safety are addressed.

Seablom, Kirk D.↗

Field Demonstration of Photonic Antenna Remoting at X-Band in the NASA Deep Space Network

We report on the successful demonstration of antenna remoting at X-band using a low phase noise and high dynamic range fiber optic link in an operating antenna receiving system, while tracking Magellan spacecraft. The insertion of the fiber link into the existing system adds no observable degradation in noise temperature to the system. We compare the experimental results with our theoretical predictions of degradations in noise temperature and dynamic range of the system caused by the insertion of the fiber link.

antenna remoting at X-band high dynamic range fibe↗

A theory for the retrieval of virtual temperature from winds, radiances and the equations of fluid dynamics

A technique to deduce the virtual temperature from the combined use of the equations of fluid dynamics, observed wind and observed radiances is described. The wind information could come from ground-based sensitivity very high frequency (VHF) Doppler radars and/or from space-borne Doppler lidars. The radiometers are also assumed to be either space-borne and/or ground-based. From traditional radiometric techniques the vertical structure of the temperature can be estimated only crudely. While it has been known for quite some time that the virtual temperature could be deduced from wind information only, such techniques had to assume the infallibility of certain diagnostic relations. The proposed technique is an extension of the Gal-Chen technique. It is assumed that due to modeling uncertainties the equations of fluid dynamics are satisfied only in the least square sense. The retrieved temperature, however, is constrained to reproduce the observed radiances. It is shown that the combined use of the three sources of information (wind, radiances and fluid dynamical equations) can result in a unique determination of the vertical temperature structure with spatial and temporal resolution comparable to that of the observed wind.

Tzvi, G. C.↗

A Method for Dynamic Kolsky Bar Compression at High Temperatures: Application to Ti-6Al-4V

Abstract An experimental apparatus for measuring the dynamic behavior of materials subjected to strain rates on the order of 10 $$^3$$ 3 s $$^{-1}$$ - 1 and temperatures up to 800°C with a unique triple actuation system is developed in this work. This system is based on the traditional Kolsky (or split-Hopkinson pressure) bar design, with the addition of an external furnace used to heat the specimen to the desired temperature. A synchronized triple pneumatic actuation system is used to control the motion and timing of the the sample, incident, and transmitted bars. The cold contact time (CCT), or the time during which the heated sample is in contact with the room temperature bars before compression, is measured experimentally and carefully controlled to minimize the development of a temperature gradient across the sample and avoid heating of the bars. Experiments are performed in conjunction with ultra high speed imaging and 2D digital image correlation (DIC), as well as high speed thermal imaging. To verify the viability of the proposed system, experiments were conducted on Ti-6Al-4V (wt.%) at temperatures from 25°C up to and 800°C at an average strain rate of approximately 1200 s $$^{-1}$$ - 1 .

36 MATERIALS SCIENCE↗

Machine learning of Kondo physics using variational autoencoders and symbolic regression

In this work, we employ variational autoencoders to extract physical insight from a dataset of one-particle Anderson impurity model spectral functions. Autoencoders are trained to find a low-dimensional, latent space representation that faithfully characterizes each element of the training set, as measured by a reconstruction error. Variational autoencoders, a probabilistic generalization of standard autoencoders, further condition the learned latent space to promote highly interpretable features. In our study, we find that the learned latent variables strongly correlate with well known, but nontrivial, parameters that characterize emergent behaviors in the Anderson impurity model. In particular, one latent variable correlates with particle-hole asymmetry, while another is in near one-to-one correspondence with the Kondo temperature, a dynamically generated low-energy scale in the impurity model. Using symbolic regression, we model this variable as a function of the known bare physical input parameters and "rediscover" the nonperturbative formula for the Kondo temperature. The machine learning pipeline we develop suggests a general purpose approach, which opens opportunities to discover new domain knowledge in other physical systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Recent advances in high temperature instrumentation for hot section applications

Programs to develop research instrumentation for use in turbine engine hot sections are described. These programs were initiated to provide improved measurements capability as support for a multidisciplinary effort to establish technolgy leading to improved hot section durability. Specific measurement systems described here include heat flux sensors, a dynamic gas temperature measuring system, laser anemometry for hot section applications, an optical system for viewing the interior of a combustor during operation, thin film sensors for surface temperature and strain measurements, and high temperature strain measuring systems. The paper describes the state of the development of these sensors and measuring systems and, in some cases, will show examples of measurements made with this instrumentation.The paper covers work done at the NASA Lewis Research Center and at various contract and grant facilities.

Propulsion instrumentation↗

Advanced high temperature instrumentation for hot section research applications

Programs to develop research instrumentation for use in turbine engine hot sections are described. These programs were initiated to provide improved measurements capability as support for a multidisciplinary effort to establish technology leading to improved hot section durability. Specific measurement systems described here include heat flux sensors, a dynamic gas temperature measuring system, laser anemometry for hot section applications, an optical system for viewing the interior of a combustor during operation, thin film sensors for surface temperature and strain measurements, and high temperature strain measuring systems. The paper will describe the state of development of these sensors and measuring systems and, in some cases, will show examples of measurements made with this instrumentation. The paper covers work done at the NASA Lewis Research Center and at various contract and grant facilities.

Englund, D. R.↗

Advanced high temperature instrument for hot section research applications

Programs to develop research instrumentation for use in turbine engine hot sections are described. These programs were initiated to provide improved measurements capability as support for a multidisciplinary effort to establish technology leading to improved hot section durability. Specific measurement systems described here include heat flux sensors, a dynamic gas temperature measuring systems, laser anemometry for hot section applications, an optical system for viewing the interior of a combustor during operation. Thin film sensors for surface temperature and strain measurements, and high temperature strain measuring systems. The paper will describe the state of development of these sensors and measuring systems and, i n some cases, will show examples of measurements made with this instrumentation. The paper covers work done a t the NASA Lewis Research Center and at various contract and grant facilities.

D R Englund↗

Heat generation in a viscoelastic solid.

Temperature distributions and heat generation in viscoelastic isotropic solid resulting from mechanical deformations determined by energy equation

ENERGY EQUATION↗

Hyporheic Oxygen Dynamics in the East River, Colorado: Insights From an In–Situ, High Frequency Time Series During Two Distinct Flow Seasons

Dissolved oxygen (DO) is critical for aquatic ecosystems, however, few studies have focused on the long-term DO dynamics in hyporheic zones, which are a function of both transport (hydrologic exchange between river and hyporheic zone) and uptake by biogeochemical reactions or respiration. We explore the dynamics of temperature and DO at 10, 20, and 35 cm depth beneath the East River, Colorado, from July–October 2017 (relatively normal water year) and April to October 2018 (comparatively low flow year), enabled by distinctive, in-situ, high frequency (Δt = 5 min) sensors that provided continuous time-series from the undisturbed study site over 14 months. We expect that hyporheic DO, which has a regular daily fluctuation pattern, is supplied by the surface water (at all times we estimate downwelling) and that diurnal hyporheic DO temporal patterns should be aligned with diurnal hyporheic temperature patterns. However, this was not found to be the case. Hyporheic DO becomes depleted briefly at 20 and 35 cm depths in 2017, and at all three hyporheic depths for extended periods in 2018. Whereas diurnal temperature fluctuations have consistent timings of maxima and minima, hyporheic DO rarely has as regular a pattern, and daily ranges are inconsistent. Rainfall events caused some of these changes to diurnal hyporheic DO patterns without repeatable effects. Antecedent snowpack conditions influence streamflow dynamics and therefore hyporheic DO dynamics in this alpine river. These results also point to the strong and variable influence of hyporheic microbial communities regulating hyporheic DO.

54 ENVIRONMENTAL SCIENCES↗

Switching of Hybrid Improper Ferroelectricity in Oxide Double Perovskites

In ABO 3 -type perovskite oxides with Pnma symmetry, rotation (Q R+ , a 0 a 0 c + ) and tilt (Q T , a – a – c 0 ) of BO 6 octahedra are the two primary order parameters. These order parameters establish an inherent trilinear coupling with anti-ferroelectric A-site displacement (Q AFE ) to form the low-symmetry phase. The symmetry is further lowered in double perovskite oxides (DPOs) due to A/A' cation ordering. It in turn makes these systems polar via hybrid improper ferroelectric mechanism, primarily driven by Q R+ and Q T . Naturally, it has been believed that functionalities such as polarization can also be switched by tuning these primary order parameters. However, mystery around finding switching mechanism still remains. Our study based on density functional theory calculations combined with finite-temperature molecular dynamics simulations shows that the polarization switching is a two-step process, driven by out-of-phase rotation (Q R– , a 0 a 0 c – when Q T = 0 or, a – a – b – when Q T ≠ 0). A series of polar DPOs such as KLnFeOsO 6 [Ln = Sm, Gd, Dy, Tm (lanthanides) and Y (rare earth)], all belonging to P2 1 symmetry, are considered in this investigation. The polarization switching P ($\overrightarrow{P}$) occurs at a very high temperature of ~1150 K through a phase transition, from a polar (P2 1 ) phase with $\overrightarrow{P}$(+) to $\overrightarrow{P}$(-) via a non-polar P4/n phase. The switching itself is metastable in nature. The switching (both polarization and spin state) is only observed for a very short period of time (~23 ps) that poses limitation on using such a mechanism in memory device realization. We demonstrate a concurrent heating–cooling procedure to overcome such shortcoming. In conclusion, simulations conducted at 600 K further imply that long lasting switching can be achieved, at least for 1.2 ns for 600 K, and ideally for an infinite time, if the material is heated just above the T c followed by rapid cooling to a temperature below T c .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Techniques to characterize dynamics in biomaterials microenvironments: XPCS and microrheology of alginate/PEO–PPO–PEO hydrogels

Many recent studies have highlighted the timescale for stress relaxation of biomaterials on the microscale as an important factor in regulating a number of cell-material interactions, including cell spreading, proliferation, and differentiation. Relevant timescales on the order of 0.1–100 s have been suggested by several studies. While such timescales are accessible through conventional mechanical rheology, several biomaterials have heterogeneous structures, and stress relaxation mechanisms of the bulk material may not correspond to that experienced in the cellular microenvironment. Here we employ X-ray photon correlation spectroscopy (XPCS) to explore the temperature-dependent dynamics, relaxation time, and microrheology of multicomponent hydrogels comprising of commercial poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (PEO–PPO–PEO) triblock copolymer F127 and alginate. Previous studies on this system have shown thermoreversible behavior in the bulk oscillatory shear rheology. At physiological temperatures, bulk rheology of these samples shows behavior characteristic of a soft solid, with G' > G" and no crossover between G' and G" over the measurable frequency range, indicating a relaxation time >125 s. By contrast, XPCS-based microrheology shows viscoelastic behavior at low frequencies, and XPCS-derived correlation functions show relaxation times ranging from 10–45 s on smaller length scales. Finally, we are able to use XPCS to effectively probe the viscoelasticity and relaxation behavior within the material microenvironments.

36 MATERIALS SCIENCE↗

A Model of the Influence of Neutral Air Dynamics on the Seasonal Variation in the Low Ionosphere

Recently it has become clear that the phenomena in the ionospheric D-region are determined to a great extent by dynamical processes in the strato-mesosphere D-region. In this respect much attention is paid to the study of the winter anomaly (WA) phenomenon on medium and short radiowaves, in which the meteorological character of the lower ionosphere is most prominent. Significant experimental data about the variations of the electron concentration, N, ion composition, temperature and dynamic regime during WA permit a better understanding of the character of the physical processes in the middle atmosphere. The influence of the neutral wind on the seasonal variation of the electron concentration N for the altitude interval 90 or = z or = 120 km, where the ratio upsilon sub in/omega sub i, of the ion-neutral collision frequency, upsilon sub in and the ion gyrofrequency, omega sub i decreases from 40 to 1 was evaluated. CIRA-72 is used as a model of the zonal wind.

Nestorov, G.↗