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At least 1,081 records · Page 60

Homogenization of Dendritic Structures and the High-Temperature Strength of the Refractory High-Entropy Alloy MoNbTaVW

MoNbTaVW, a pioneering refractory high-entropy alloy (RHEA), is renowned for its exceptional strength at elevated temperatures. Like most RHEAs, it solidifies into a dendritic microstructure with steep concentration gradients, necessitating heat treatment for equilibration. Steep concentration gradients typically complicate mechanical property analysis and modeling, key challenges for high-throughput alloy discovery. This study examines the effects of high-temperature homogenization (1800 °C for 8 hours) on the microstructure and mechanical properties of MoNbTaVW across temperatures up to 1200 °C. Postmortem microstructural analysis, coupled with chemical, crystallographic, and mechanical assessments, revealed that yield strength was surprisingly insensitive to homogenization, with less than a 3 pct difference between as-cast and heat-treated materials. Nanoindentation confirmed minimal nanohardness changes across the dendritic structure at room temperature. However, homogenization significantly enhanced high-temperature work hardening, producing higher peak compressive strength. Both as-cast and homogenized MoNbTaVW exhibited room-temperature strengths of 1400 MPa, exceeding previously reported values. These findings demonstrate that high-temperature treatment enables microstructural homogenization without compromising strength, a unique behavior among RHEAs. In conclusion, while not universally applicable, this insight highlights the importance of understanding microstructural development in experimental alloys and offers a pathway to design alloys that achieve homogeneous-like properties without heat treatment.

Rietema, C. J. [Lawrence Livermore National Labora↗

A source model for the L134N molecular cloud

The dark molecular cloud L134N is observed at millimeter wavelengths in the CS (J = 3-2), OCS (J = 7-6), and HDO (1 sub 11-1 sub 10) transitions. The CS (J = 3-2) transition was observed at four positions within the cloud, while the other two transitions were observed at one position each. Fractional abundances in the LTE approximation are calculated for each emission line detected. L134N appears to have a high-density core characterized by NH3, C3H2, and H(C-13)O(+) emission maps. A lower density envelope characterized by C(0-18), CS (J = 2-1), and SO emission surrounds the core. There appears to be a gas-phase oxygen abundance gradient in L134N with atomic oxygen depleted in the high-density core. Observed molecular distributions within L134N can be explained by a model in which chemical and physical processes in icy-dust-grain mantles influence the gas-phase molecular abundances.

Swade, Daryl A.↗

Simultaneous x-ray and neutron 4D tomographic study of drying-driven hydro-mechanical behavior of cement-based materials at moderate temperatures

The drying of cement-based materials is intimately related to their durability, which has significant economic, social and environmental repercussions. The evolution of the saturation of the pore network and the associated drying shrinkage are in fact leading causes of cracking and of the ensuing penetration of aggressive chemicals. This process is highly heterogeneous, due to the thermo-hydric spatial gradients developing in the material from the exposed surfaces to its core and because of local effects, driven by the intrinsically heterogeneous micro-structure (e.g., by the distribution of pores and aggregates). It follows that macroscopic, sample-scale measurements cannot fully disclose the complexity of the underlying processes. In the last few decades, significant advances in full-field techniques have allowed an unprecedented insight into these local processes. For cement-based materials, x-ray and neutron tomography lend themselves as ideal, and highly complementary, tools for the study of their thermo-hydro-mechanical behavior. Notably, the high sensitivity to density variations of x-ray imaging gives access to the developments of fractures, in 4D (3D + time). On the other hand, neutron tomography allows the study of the evolution of the moisture field in 4D, thanks to its high hydrogen sensitivity. The combination of these two techniques provides a unique insight in thermo-hydro-mechanical couplings, e.g., the effect of cracks on the water content field. This contribution presents novel 5D datasets (3D tomographies along time, plus truly simultaneous x-ray and Neutron rapid acquisitions) in-operando of a cement paste and of a concrete sample heated at moderate temperatures (up to 140{sup ∘}C). The analysis of this 5D data-set (once aligned in time and across modalities) allows for example a quantification of the 4D moisture profiles which were found to predict an overall water loss at hydric equilibrium coherent with the corresponding analytical analysis. In the cement paste sample, the x-ray dataset captures the evolution of an extensive cracking network, opening and propagation toward the core of the sample. A novel analysis procedure is here proposed which allows the extraction of these fractures and the analysis of their interplay with local drying as captured through neutron imaging. This for example reveals the depth of penetration of drying in the vicinity of the fractures along time, which is essential for the assessment and calibration of hydro-mechanical coupled models.

36 MATERIALS SCIENCE↗

The collaborative effects of intrinsic and extrinsic impurities in low RRR SRF cavities

The superconducting radio-frequency (SRF) community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurity profile of niobium with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing and material analysis reveals a microscopic picture of why low RRR cavities experience low temperature-dependent BCS resistance behavior more prominently than their high RRR counterparts. We performed surface treatments, low temperature baking and nitrogen-doping, on low RRR cavities to evaluate how the intentional addition of oxygen and nitrogen to the RF layer further improves performance through changes in the mean free path and impurity profile. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of SRF surface treatments.

43 PARTICLE ACCELERATORS↗

The dynamics of the stratospheric polar vortex and its relation to springtime ozone depletions

Recent aircraft observations have determined the structure of polar vortices during winter and their relationship to polar ozone depletions, based on high dynamical isolation and the extremely low temperatures required for stratospheric cloud formation. The aircraft data reveal large gradients of potential vorticity and concentrations of conservative trace species at the transition from high-latitude to polar air, implying that the inward mixing of heat and constituents is strongly inhibited, and that the perturbed polar stratospheric chemistry associated with the ozone hole is isolated from the rest of the stratosphere until the vortex breaks up in late spring. It is therefore the overall polar vortex which limits the annual polar ozone depletions' maximum area-coverage.

Schoeberl, Mark R.↗

The Collaborative Effects of Intrinsic and Extrinsic Impurities in Low RRR SRF Cavities

The superconducting radio-frequency (SRF) community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurity profile of niobium with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing and material analysis reveals a microscopic picture of why low RRR cavities experience low temperature-dependent BCS resistance behavior more prominently than their high RRR counterparts. We performed surface treatments, low temperature baking and nitrogen-doping, on low RRR cavities to evaluate how the intentional addition of oxygen and nitrogen to the RF layer further improves performance through changes in the mean free path and impurity profile. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of SRF surface treatments.

43 PARTICLE ACCELERATORS↗

Finite-volume application of high order ENO schemes to multi-dimensional boundary-value problems

The finite volume approach in developing multi-dimensional, high-order accurate essentially non-oscillatory (ENO) schemes is considered. In particular, a two dimensional extension is proposed for the Euler equation of gas dynamics. This requires a spatial reconstruction operator that attains formal high order of accuracy in two dimensions by taking account of cross gradients. Given a set of cell averages in two spatial variables, polynomial interpolation of a two dimensional primitive function is employed in order to extract high-order pointwise values on cell interfaces. These points are appropriately chosen so that correspondingly high-order flux integrals are obtained through each interface by quadrature, at each point having calculated a flux contribution in an upwind fashion. The solution-in-the-small of Riemann's initial value problem (IVP) that is required for this pointwise flux computation is achieved using Roe's approximate Riemann solver. Issues to be considered in this two dimensional extension include the implementation of boundary conditions and application to general curvilinear coordinates. Results of numerical experiments are presented for qualitative and quantitative examination. These results contain the first successful application of ENO schemes to boundary value problems with solid walls.

Casper, Jay↗

Thermal gradient effect on helium and self-interstitial transport in tungsten

First-wall materials in a fusion reactor are expected to withstand harsh conditions, with high heat and particle fluxes that modify the materials microstructure. These fluxes will create strong gradients of temperature and concentration of diverse species. Besides the He ash and the hydrogenic species, neutron particles generated in the fusion reaction will collide with the material creating intrinsic defects, such as vacancies, self-interstitials atoms (SIAs), and clusters of such point defects. These defects and the He atoms will then migrate in the presence of the aforementioned gradients. In this study, we use nonequilibrium molecular dynamics to analyze the transport of He and SIAs in the presence of a thermal gradient in tungsten. We observe that, in all cases, the defects and impurity atoms tend to migrate toward the hot regions of the tungsten sample. The resulting species concentration profiles are exponential distributions, rising toward the hot regions of the sample, in agreement with irreversible thermodynamics analysis. For both He atoms and SIAs, we find that the resulting species flux is directed opposite to the heat flux, indicating that species transport is governed by a Soret effect (thermal-gradient-driven diffusion) characterized by a negative heat of transport that drives species diffusion uphill (from the cooler to the hot regions of the sample). Here, we demonstrate that the steady-state species profiles obtained accounting for the Soret effect vary significantly from those where temperature-gradient-driven transport is not considered and discuss the implications of such a Soret effect on the response to plasma exposure of plasma-facing tungsten.

36 MATERIALS SCIENCE↗

High-resolution mapping of spatial heterogeneity in ice wedge polygon geomorphology near Prudhoe Bay, Alaska

It is well known that microtopography associated with ice wedge polygons drives pronounced, meter-scale spatial gradients in hydrologic and ecological processes on the tundra. However, highresolution maps of polygonal geomorphology are rarely available, due to the complexity and subtlety of ice wedge polygon relief at landscape scales. Here we present a sub-meter resolution map of >106 discrete ice wedge polygons across a ~1200 km2 landscape, delineated within a lidar-derived digital elevation model. The delineation procedure relies on a convolutional neural network paired with a set of common image processing operations and permits explicit measurement of relative elevation at the center of each ice wedge polygon. The resulting map visualizes meter- to kilometer-scale spatial gradients in polygonal geomorphology across an extensive landscape with unprecedented detail. This high-resolution inventory of polygonal geomorphology provides rich spatial context for extrapolating observations of environmental processes across the landscape. The map also represents an extensive baseline dataset for quantifying contemporary land surface deformation (i.e., thermokarst) at the survey area, through future topographic surveys.

54 ENVIRONMENTAL SCIENCES↗

Mathematical modeling of high and low temperature heat pipes

Mathematical models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are appended. These programs enable the performance of heat pipes with wrapped-screen, rectangular-groove or screen-covered rectangular-groove wick to be predicted.

Chi, S. W.↗

Mathematical modeling of high and low temperature heat pipes

Following a review of heat and mass transfer theory relevant to heat pipe performance, math models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are included. These programs enable the performance to be predicted of heat pipes with wrapped-screen, rectangular-groove, or screen-covered rectangular-groove wick.

Chi, S. W.↗

Low-Lying Excited States of Linear All- Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction

Polyenes serve as a rigorous test for theoretical models and electronic structure methods, playing a key role in advancing computational and theoretical chemistry. Here, we present a high-level theoretical investigation of linear, all-trans polyenes using energy gradients and nonadiabatic coupling vectors based on an MR-CISD wave function to describe electronic transitions involving the ground state (1 1 A g – ) and three low-lying excited states (2 1 A g – , 1 1 B u + , and 2 1 B u – ) of hexatriene, octatetraene, and decapentaene. This approach enables accurate evaluation of both adiabatic and vertical excitation and emission energies, yielding results in excellent agreement with experiment, as well as locating minima on the crossing seam between adiabatic states. Our results show that vertical excitation energies to the 1 1 B u + state are blue-shifted by 0.2–0.3 eV relative to the experimental absorption maximum, whereas the vertical emission energy from the 2 1 A g – state is red-shifted by ∼0.2 eV relative to the experimental emission maximum. Upon relaxation from the Franck–Condon geometry, the 2 1 A g – state stabilizes by around 1 eV, compared to 0.2–0.3 eV for the 1 1 B u + state. An analysis of the S 1 /S 0 crossing seam in hexatriene shows that its minimum involves asymmetric backbone deformations and provides an efficient channel for ultrafast internal conversion to the ground state, consistent with the absence of detectable fluorescence in this molecule. These results demonstrate the power of analytic gradients and nonadiabatic coupling vectors based on an MR-CISD wave function for accurately characterizing the electronic structure and photophysics of polyenes.

Excited states↗

Variability of Fram Strait Ice Flux and North Atlantic Oscillation

An important term in the mass balance of the Arctic Ocean sea ice is the ice export. We estimated the winter sea ice export through the Fram Strait using ice motion from satellite passive microwave data and ice thickness data from moored upward looking sonars. The average winter area flux over the 18-year record (1978-1996) is 670,000 square km, approximately 7% of the area of the Arctic Ocean. The winter area flux ranges from a minimum of 450,000 sq. km in 1984 to a maximum of 906,000 sq km in 1995. The daily, monthly and interannual variabilities of the ice area flux are high. There is an upward trend in the ice area flux over the 18-year record. The average winter volume flux over the winters of October 1990 through May 1995 is 1745 cubic km ranging from a low of 1375 cubic km in 1990 to a high of 2791 cubic km in 1994. The sea-level pressure gradient across the Fram Strait explains more than 80% of the variance in the ice flux over the 18-year record. We use the coefficients from the regression of the time-series of area flux versus pressure gradient across the Fram Strait and ice thickness data to estimate the summer area and volume flux. The average 12-month area flux and volume flux are 919,000 sq km and 2366 cubic km. We find a significant correlation (R =0.86) between the area flux and positive phases of the North Atlantic Oscillation (NAO) index over the months of December through March. Correlation between our six years of volume flux estimates and the NAO index gives R =0.56. During the high NAO years, a more intense Icelandic low increases the gradient in the sea-level pressure by almost 1 mbar across the Fram Strait thus increasing the atmospheric forcing on ice transport. Correlation is reduced during the negative NAO years because of decreased dominance of this large-scale atmospheric pattern on the sea-level pressure gradient across the Fram Strait. Additional information is contained in the original.

Kwok, Ron↗

Phase-space dynamics of Alfvén mode chirping

In tokamak discharges, toroidal Alfvén eigenmodes often experience complex semi-periodic frequency modulation known as chirping. These events modify the local high energy particle distribution and are expected to occur in many future fusion devices, which include energetic beams or fusion products. In this paper, we present a study of simulations of mode chirping made in order to better understand its phase-space properties in a realistic tokamak configuration. We find a mechanism that permits rapid repeated chirping with strong amplitude variation in each chirp. Each chirp is then associated with an amplitude crash to low magnitude and local manipulation of the density gradients through a shift of mode phase through π. The chirping produces high density clumps, which propagate down the fast ion density gradient and low density holes that propagate up the density gradient away from the resonance. This flow of particles across the resonance provides an energy source and local gradients for repeated chirping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Transitional Structures with Continuous Variations in Atomic Positions from Anatase to Rutile Improve Photocatalytic Activity

Abstract TiO 2 polymorphs have distinct properties that are widely employed in various applications. However, mechanisms of transformations between these polymorphs are not fully understood, especially at atomic scale, inhibiting advancing the design and application of the transitional phases. Here, based on results from semi‐in situ transmission electron microscopy, density functional theory, and X‐ray photoemission experiments, a physical picture of transitional structures is discovered, in which continuous variations in atomic positions form along a previously unreported anatase‐to‐rutile phase transformation path of [010] A –to–[] R and (004) A –to– (011) R . These gradient structures give rise to continuous band bending, which promotes electron‐hole separation and inhibits their recombination across the bulk of the particles, leading to a large functionally active volume fraction and resulting in high photoactivity. These findings suggest that interphase matter based on extended gradient structures can be designed to advance new functions not achievable using abrupt interfaces.

36 MATERIALS SCIENCE↗

Design of High-Voltage Stable Hybrid Electrolyte with an Ultrahigh Li Transference Number

Considering the high energy consumption during processing, and the low compliance and adhesion of ceramic electrolytes, the integration of polymer into ceramic electrolytes provides a way to mitigate the interfacial issues. However, the severe ion concentration gradient, low ionic conductivity, and instability toward Li metal and high-voltage cathodes become the major concerns in applying hybrid electrolytes. In this work, we report a single-ionconducting hybrid electrolyte (SIE-LLZO) with 64 wt % Li 7 La 3 Zr 2 O 12 (LLZO) particles embedded in a fluoroboron-centered Li-conductive polymer framework (LiBFSIE). The SIE-LLZO electrolyte exhibited a high Li transference number of 0.94 and electrochemical stability up to 5.6 V vs Li/Li + . Promising averaged Coulombic efficiencies of 99.97% and 99.91% were achieved in cells with LiNi 0.8 Co 0.15 Al 0.05 O 2 and LiNi 0.6 Mn 0.2 Co 0.2 O2 cathodes for 400 and 200 cycles, respectively. Finally, the Li-conducting pathway in the hybrid electrolyte was further investigated by a 6 Li-to- 7 Li isotope replacement method, indicating that Li transport mainly relies on the LLZO and interface between LiBFSIE and LLZO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Remobilizing the Interface of Thermocapillary Driven Bubbles Retarded By the Adsorption of a Surfactant Impurity on the Bubble Surface

Thermocapillary migration is a method for moving bubbles in space in the absence of buoyancy. A temperature gradient is the continuous phase in which a bubble is situated, and the applied gradient impressed on the bubble surface causes one pole of the drop to be cooler than the opposite pole. As the surface tension is a decreasing function of temperature, the cooler pole pulls at the warmer pole, creating a flow that propels the bubble in the direction of the warmer fluid. A major impediment to the practical use of thermocapillary to direct the movement of bubbles in space is the fact that surfactant impurities, which are unavoidably present in the continuous phase, can significantly reduce the migration velocity. A surfactant impurity adsorbed onto the bubble interface is swept to the trailing end of the bubble. When bulk concentrations are low (which is the case with an impurity), diffusion of surfactant to the front end is slow relative to convection, and surfactant collects at the back end of the bubble. Collection at the back lowers the surface tension relative to the front end setting up a reverse tension gradient. (This can also be the case if kinetic desorption of surfactant at the back end of the bubble is much slower than convection.) For buoyancy driven bubble motions in the absence of a thermocapillarity, the tension gradient opposes the surface flow, and reduces the surface and terminal velocities (the interface becomes more solid-like and bubbles translate as solid particles). When thermocapillary forces are present, the reverse tension gradient set up by the surfactant accumulation reduces the temperature-induced tension gradient, and can decrease to near zero the bubble's thermocapillary velocity. The objective of our research is to develop a method for enhancing the thermocapillary migration of bubbles which have be retarded by the adsorption onto the bubble surface of a surfactant impurity. Our remobilization theory proposes to use surfactant molecules which kinetically rapidly exchange between the bulk and the surface and are at high bulk concentrations. Because the remobilizing surfactant is present at much higher concentrations than the impurity, it adsorbs to the bubble surface much faster than the impurity when the bubble is formed, and thereby prevents the impurity from adsorbing onto the surface. In addition, the rapid kinetic exchange and high bulk concentration maintain a saturated surface with uniform surface concentrations. This prevents retarding surface tension gradients and keeps the thermocapillary velocity high. In our reports over the first 2 years, we presented numerical simulations of the bubble motion and surfactant transport which verified theoretically the concept of remobilization, and the development of an apparatus to track and measure the velocity of rising bubbles in a glycerol/water surfactant solution. This year, we detail experimental observations of remobilization. Two polyethylene oxide surfactants were studied, C12E6 (CH3(CH2)11(OCH2)6OH) and C10E8 (CH3(CH2)4(OCH2CH2)8OH). Measurements of the kinetic exchange for these surfactants show that the one with the longer hydrophobe chain C12E6 has a lower rate of kinetic exchange. In addition, this surfactant is much less soluble in the glycerol/water mixture because of the shorter ethoxylate chain. As a result, we found that C12E6 had only a very limited ability to remobilize rising bubbles because of the limited kinetic exchange and reduced solubility. However, C10E8, with its higher solubility and more rapid exchange was found to dramatically remobilize rising bubbles. We also compared our theoretical calculations to the experimental measurements of velocity for both the non-remobilizing and remobilizing surfactants and found excellent agreement. We further observed that for C10E8 at high concentrations, which exceeded the critical micelle concentrations, additional remobilization was measured. In this case the rapid exchange of monomer between micelle and surfactant provides an additional mechanism for maintaining a uniform surface concentrations.

Palaparthi, Ravi↗

Conceptual design of a self-deployable, high performance parabolic concentrator for advanced solar-dynamic power systems

NASA has initiated technology development programs to develop advanced solar dynamic power systems and components for space applications beyond 2000. Conceptual design work that was performed is described. The main efforts were the: (1) conceptual design of self-deploying, high-performance parabolic concentrator; and (2) materials selection for a lightweight, shape-stable concentrator. The deployment concept utilizes rigid gore-shaped reflective panels. The assembled concentrator takes an annular shape with a void in the center. This deployable concentrator concept is applicable to a range of solar dynamic power systems of 25 kW sub e to in excess of 75 kW sub e. The concept allows for a family of power system sizes all using the same packaging and deployment technique. The primary structural material selected for the concentrator is a polyethyl ethylketone/carbon fiber composite also referred to as APC-2 or Vitrex. This composite has a nearly neutral coefficient of thermal expansion which leads to shape stable characteristics under thermal gradient conditions. Substantial efforts were undertaken to produce a highly specular surface on the composite. The overall coefficient of thermal expansion of the composite laminate is near zero, but thermally induced stresses due to micro-movement of the fibers and matrix in relation to each other cause the surface to become nonspecular.

Dehne, Hans J.↗