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At least 73 records · Page 4

Magnetic Control of Convection during Protein Crystallization

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular Crystals for diffraction analyses has been the central focus for bio-chemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and Sedimentation as is achieved in "microgravity", we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, f o d o n of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with counteracts on for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteract terrestrial gravity. The genera1 objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. The paper will report on the experimental results using paramagentic salts and solutions in magnetic fields and compare them to analyticalpr~ctions.

Ramachandran, N.

The Favre-Reynolds Average Distinction and a Consistent Gradient Transport Expression for the Dissipation

Two equation and higher order closures for compressible turbulence fail to capture the compressible wall layers' log scaling. Accounting for the distinction between Favre and Reynolds averaged variables in the compressible moment equations indicate that turbulent transport expressions obtained using the 'variable density approximation' are in error. The error is related to the enstrophy, a Reynolds averaged variable appearing in the equation for the Favre averaged k; recognizing this fact an expression for the transport of dissipation consistent with simple mixing length arguments is obtained. Within the (limited) context of a gradient transport hypothesis a rational form for the turbulent transport of the dissipation is found. Modestly better agreement with the well established compressible Van Driest log scaling is found in k - epsilon calculation.

Ristorcelli, J. R.

Solar modulation and interplanetary gradients of the galactic electron flux, 1977 - 1984

The flux of electrons with energy from approximately 10 to 180 MeV measured ith the electron telescope on the Voyager 1 and 2 spacecraft in the heliocentric radial range 1 to 22 AU between 1977 and 1984 is reported. Jovian electrons were clearly observable between 1978 and 1983 (radial range 2 to 12 AU) at energies below approximately 50 MeV. Above approximately 50 MeV the electron intensity exhibited temporal variations generally related to the 11 year modulation of protons 75 MeV. The overall magnitude of the electron intensity changes between the maximum intensity observed in 1977 and the minimum intensity in 1981 was a factor approximately 2, also comparable to that observed for 75 MeV protons. By early 1985 the electron intensity has apparently recovered to the level observed in 1977 whereas the proton intensity was still about 20% lower. A detailed interpretation of these electron variations in all energy channels depends on an accurate subtraction of background induced by energetic protons of a few 100 Mev. This subtraction is facilitated by calibration results at several energies. Further results on these temporal variations and limits on possible interplanetary gradients will be reported.

Christon, S. P.

The rigorous upscaling of advection-dominated transport in heterogeneous porous media via the Method of Finite Averages

Systems involving advection-dominated transport through heterogeneous porous and fractured media are ubiquitous in subsurface engineering applications. However, upscaling such systems continues to challenge rigorous modeling efforts, particularly when advection is stronger than diffusion at fine spatial scales (i.e., when the Péclet number is greater than one at length scales that characterize a system’s unit-cells, representative elementary volumes, or averaging regions). Here, in this work, we propose and validate a strategy for extending the Method of Finite Averages (MoFA), a rigorous upscaling methodology for heterogeneous porous media, to upscale transport systems experiencing stronger advection than diffusion at fine scales (i.e., fine-scale Péclet numbers greater than one). We detail the strategy, the physical conditions under which it can be applied while retaining a priori modeling error guarantees, and implement the strategy to obtain a MoFA model for advective-diffusive transport that accommodates advective physics at fine spatial scales. We then perform two numerical experiments considering systems with system-scale Péclet numbers of 300 and 1000 — which correspond to fine-scale Péclet numbers of 30 and 100, respectively — to verify that the error guarantees are met under the strategy. After, we conduct a numerical study to demonstrate the strategy’s advantages over the original MoFA methodology. The results suggest that rigorously-upscaled transport models for heterogeneous porous media experiencing advective physics at finer spatial scales can be derived through MoFA and resolved orders of magnitude faster than their pore-scale counterparts. The results also suggest that the presented strategy is limited to modeling shallow concentration gradients when there are large differences between the time scales related to advection and a system’s temporally-varying boundary conditions. This limitation hinders the strategy’s practicality in modeling more advective systems, and as such, opportunity exists for developing additional strategies that accommodate rapidly-varying boundary conditions — and consequentially, steeper concentration gradients — while modeling advective systems with MoFA.

36 MATERIALS SCIENCE

Validation of the GFS model for gyrokinetic stability of NSTX pedestal data

This study presents a large database validation of the gyro fluid system (GFS) model for linear gyrokinetic stability for high-mode (H-mode) edge transport barrier conditions in the national spherical torus experiment (NSTX) tokamak. The database of linear stability calculations with the CGYRO gyrokinetic code was produced using plasma profile measurements from NSTX discharges to identify kinetic ballooning modes (KBM), trapped electron modes (TEM), and micro-tearing modes (MTM) that limit the pressure profile gradient in the H-mode barrier. A novel Bayesian optimization approach determines optimal resolution parameters for GFS specifically for spherical tokamak pedestal conditions. Our results demonstrate that GFS, with optimized resolution, can achieve accurate linear stability analysis in NSTX pedestal conditions for reduced resolution compared to CGYRO. GFS can accurately find the KBM, TEM, and MTM instability branches. Parametric analysis reveals that GFS accuracy in this extreme pedestal parameter range is degraded for low magnetic shear and near the separatrix conditions. These findings establish GFS as a fast linear eigenmode solver for spherical tokamak pedestal gyrokinetic stability and demonstrate a systematic methodology for determining the optimum resolution settings.

Yang, Minglei [Oak Ridge National Laboratory (ORNL

Characterization of the ELM-free negative triangularity edge on DIII-D

Tokamak plasmas with strong negative triangularity (NT) shaping typically exhibit fundamentally different edge behavior than conventional L-mode or H-mode plasmas. On DIII-D, every plasma with sufficiently negative triangularity (δ < δ crit ≃ -0.12) is found to be inherently free of edge localized modes (ELMs), even at injected powers well above the predicted L-H power threshold. It is also possible to access an ELM free state at weaker average triangularities provided that at least one of the two x-points is still sufficiently negative. Access to the ELM-free NT scenario is found to coincide with the closure of the second stability region for infinite-n ballooning modes, suggesting that ballooning stability may play a role in limiting the accessible pressure gradient in NT plasmas. Despite this, NT plasmas are able to support small pedestals and are typically characterized by an enhancement of edge pressure gradients beyond those found in traditional L mode plasmas. Further, the pressure gradient inside of this small pedestal is unusually steep, allowing access to high core performance that is competitive with other ELM-free regimes previously achieved on DIII-D. Since ELM-free operation in NT is linked directly to the magnetic geometry, NT fusion pilot plants are predicted to maintain advantageous edge conditions even in burning plasma regimes, potentially eliminating reactor core-integration issues caused by ELMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Efficient Training of Deep Neural Operator Networks via Randomized Sampling

Neural operators (NOs) employ deep neural networks to learn the mappings between infinitedimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex dynamics across various scientific and engineering applications. In this work, we introduce a random sampling technique to be adopted during the training of DeepONet, aimed at improving the generalization ability of the model, while significantly reducing the computational time. The proposed approach targets the trunk network of the DeepONet model that outputs the basis functions corresponding to the spatiotemporal locations of the bounded domain on which the physical system is defined. While constructing the loss function, DeepONet training traditionally considers a uniform grid of spatiotemporal points at which all the output functions are evaluated for each iteration. This approach leads to a larger batch size, resulting in poor generalization and increased memory demands, due to the limitations of the stochastic gradient descent (SGD) optimizer. The proposed random sampling over the inputs of the trunk net mitigates these challenges, improving generalization and reducing the memory requirements during training, resulting in significant computational gains. We validate our hypothesis through three benchmark examples, demonstrating substantial reductions in training time while achieving comparable or lower overall test errors relative to the traditional training approach. Our results indicate that incorporating randomization in the trunk network inputs during training enhances the efficiency and robustness of DeepONet, offering a promising avenue for improving the framework’s performance in modeling complex physical systems.

Karumuri, Sharmila [Department of Civil & Systems

Experimental Investigation of Plasma Processing for PIP-II SSR2 Cavities

Field emission and multipacting are critical factors that limit the achievable operational gradient of superconducting radio frequency (SRF) cavities. Plasma processing (PP) has been demonstrated as an effective in-situ technique for mitigating hydrocarbon-induced field emission and multipacting across a range of cavity geometries. In this work, we present the initial development and subsequent application of plasma processing for PIP-II type II spoke resonators (SSR2). The process was carried out at room temperature on an SSR2 cavity equipped with the CM-style high-power coupler and installed in the cryostat. Cavity performance was evaluated through comparative cold tests conducted before and after plasma processing.

Giaccone, Bianca [Fermilab] (ORCID:000000027275846

Parameterization of linear wave chemical transport in planetary atmospheres by eddy diffusion

Two-dimensional transport by linear waves is parameterized by wave velocity and temperature correlations and nonconservative properties of the atmosphere in a residual Eulerian framework. Explicit expressions derived for the eddy tracer flux vector are written in eddy diffusion tensor form, but it is demonstrated that strong coupling of chemistry and temperature through the rate constants, as is the case for ozone, requires additional terms proportional to the mixing ratio and not to its gradient. A variety of limiting cases are discussed. In the residual Eulerian framework the K(yz), K(zy) components are nonzero for a nonconservative atmosphere and/or a reactive tracer. Tracers have common transport coefficients in the limit where their chemistry is negligible in comparison to transience. It is shown that the usual one-dimensional vertical eddy diffusion continuity equation is rigorously valid only when the temperature dependence of the rate constants is negligible and the tracer has strong vertical stratification relative to its horizontal variability.

Strobel, D. F.

The effect of varying Mach number on crossing, glancing shocks/turbulent boundary-layer interactions

Two crossing side-wall shocks interacting with a supersonic tunnel wall boundary layer have been investigated over a Mach number range of 2.5 to 4.0. The investigation included a range of equal shock strengths produced by shock generators at angles from 4.0 to 12.0 degrees. Results of flow visualization show that the interaction is unseparated at the low shock generator angles. With increasing shock strength, the flow begins to form a separated region that grows in size and moves forward and eventually the model unstarts. The wall static pressures show a symmetrical compression that merges on the centerline upstream of the inviscid shock locations and becomes more 1D downstream. The region of the 1D pressure gradient moves upstream with increasing shock strengths until it coincides with the leading edge of the shock generators at the limit before model unstart. At the limiting conditions the wall pressure gradients are primarily in the axial direction throughout.

Hingst, W. R.

Inhibition of electron thermal conduction by electromagnetic instabilities

Heat flux inhibition by electromagnetic instabilities in a hot magnetized plasma is investigated. Low-frequency electromagnetic waves become unstable due to anisotropy of the electron distribution function. The chaotic magnetic field thus generated scatters the electrons with a specific effective mean free path. Saturation of the instability due to wave-wave interaction, nonlinear scattering, wave propagation, and collisional damping is considered. The effective mean free path is found self-consistently, using a simple model to estimate saturation level and scattering, and is shown to decrease with the temperature gradient length. The results, limited to the assumptions of the model, are applied to astrophysical systems. For some interstellar clouds the instability is found to be important. Collisional damping stabilizes the plasma, and the heat conduction can be dominated by superthermal electrons.

Levinson, Amir

Computation of Turbulent Wake Flows in Variable Pressure Gradient

Transport aircraft performance is strongly influenced by the effectiveness of high-lift systems. Developing wakes generated by the airfoil elements are subjected to strong pressure gradients and can thicken very rapidly, limiting maximum lift. This paper focuses on the effects of various pressure gradients on developing symmetric wakes and on the ability of a linear eddy viscosity model and a non-linear explicit algebraic stress model to accurately predict their downstream evolution. In order to reduce the uncertainties arising from numerical issues when assessing the performance of turbulence models, three different numerical codes with the same turbulence models are used. Results are compared to available experimental data to assess the accuracy of the computational results.

Duquesne, N.

Oxygen Ion Heat Rate within Alfvenic Turbulence in the Cusp

The role that the cleft/cusp has in ionosphere-magnetosphere coupling makes it a dynamic and important region. It is directly exposed to the solar wind, making it possible for the entry of electromagnetic energy and precipitating electrons and ions from dayside reconnection and other dayside events. It is also a significant source of ionospheric plasma, contributing largely to the mass loading of the magnetosphere with large fluxes of outflowing ions. Crossing the cusp/cleft near 5100 km, the Polar instruments observe the common correlation of downward Poynting flux, ion energization, soft electron precipitation, broadband extremely low-frequency (BB-ELF) emissions, and density depletions. The dominant power in the BB-ELF emissions is now identified to be from spatially broad, low frequency Alfv nic structures. For a cusp crossing, we determine using the Electric Field Investigation (EFI), that the electric and magnetic field fluctuations are Alfv nic and the electric field gradients satisfy the inequality for stochastic acceleration. With all the Polar 1996 horizontal crossings of the cusp, we determine the O+ heating rate using the Thermal Ion Dynamics Experiment (TIDE) and Plasma Wave Investigation (PWI). We then compare this heating rate to other heating rates assuming the electric field gradient criteria exceeds the limit for stochastic acceleration for the remaining crossings. The comparison suggests that a stochastic acceleration mechanism is operational and the heating is controlled by the transverse spatial scale of the Alfvenic waves.

Coffey, Victoria N.

Siberian Pine Decline and Mortality in Southern Siberian Mountains

The causes and resulting spatial patterns of Siberian pine mortality in eastern Kuznetzky Alatau Mountains, Siberia were analyzed based on satellite (Landsat, MODIS) and dendrochronology data. Climate variables studied included temperature, precipitation and Standardized Precipitation-Evapotranspiration Index (SPEI) drought index. Landsat data analysis showed that stand mortality was first detected in the year 2006 at an elevation of 650 m, and extended up to 900 m by the year 2012. Mortality was accompanied by a decrease in MODIS derived vegetation index (EVI).. The area of dead stands and the upper mortality line were correlated with increased drought. The uphill margin of mortality was limited by elevational precipitation gradients. Dead stands (i.e., >75% tree mortality) were located mainly on southern slopes. With respect to slope, mortality was observed within a 7 deg - 20 deg range with greatest mortality occurring on convex terrain. Tree radial incrementmeasurements correlate and were synchronous with SPEI (r sq = 0.37, r(sub s) = 80). Increasing synchrony between tree ring growth and SPEI indicates that drought has reduced the ecological niche of Siberian pine. The results also showed the primary role of drought stress on Siberian pine mortality. A secondary role may be played by bark beetles and root fungi attacks. The observed Siberian pine mortality is part of a broader phenomenon of "dark needle conifers" (DNC, i.e., Siberian pine, fir and spruce) decline and mortality in European Russia, Siberia, and the Russian Far East. All locations of DNC decline coincided with areas of observed drought increase. The results obtained are one of the first observations of drought-induced decline and mortality of DNC at the southern border of boreal forests. Meanwhile if model projections of increased aridity are correct DNC, within the southern part of its range may be replaced by drought-resistant Pinus silvestris and Larix sibirica.

tree die-off

Thermocapillary migration of a small chain of bubbles

The quasistatic thermocapillary migration of a chain of two or three spherical bubbles in an unbounded fluid possessing a uniform temperature gradient is investigated in the limit of vanishing Reynolds and Peclet numbers. The line of bubble centers is permitted to be either parallel or perpendicular to the direction of the undisturbed temperature gradient. The governing equations are solved by a truncated-series, boundary-collocation technique. Results are presented which demonstrate the impact of the presence of other bubbles on a test bubble. In the three-bubble case, a simple pairwise-additive approximation is constructed from the reflections solution, and found to perform well except when the bubbles are close to each other. Also, features of the flow topology in the fluid are explored. Separated reverse flow wakes are found in the axisymmetric problem, and other interesting structures are noted for the case in which the line of centers is perpendicular to the applied temperature gradient. The observed flow structure is shown to be the result of superposition of simpler basic flows.

Wei, Huailiang

Advanced methods for preparation and characterization of infrared detector materials

Mercury cadmium telluride crystals were prepared by the Bridgman method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of the crystal growth kinetics for the Hg(i-x)CdxTe alloys, and measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential thermal analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge carrier concentrations, charge carrier mobilities, Hall coefficient, optical absorptance, and Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Lehoczky, S. L.

Towards advanced polarized electron sources

Polarized electrons play an important role in high-energy and nuclear physics, and their properties have also been exploited in ultrafast electron microscopy. Currently, gallium arsenide crystals illuminated by circular polarized infrared laser light are commonly used for generating polarized electrons. However, the achievable accelerating voltage and the gradient of these electrostatic sources limit the beam quality and quantity. A solution could be to combine gallium arsenide photocathodes with radio-frequency electron guns, which are capable of accelerating beams with significantly higher gradients and voltage. Here we report the successful operation of a gallium arsenide photocathode in a superconducting radio-frequency gun. Our findings are relevant for future sources of polarized electrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Evaluating methods to reduce duration of near-threshold fatigue crack growth rate measurements for low-alloy steels in hydrogen gas

Measurement of the near-threshold fatigue crack growth rate (da/dN) vs. stress-intensity factor range (∆K) relationship in hydrogen gas is essential for maximizing the calculated design fatigue life of high-pressure hydrogen storage vessels. However, such measurements are rarely performed, since the low cyclic loading frequencies applied in standard practice lead to prohibitively protracted test durations. The objective of this study was to demonstrate two means for reducing test durations when measuring near-threshold da/dN vs. ΔK relationships under decreasing ΔK for low-alloy pressure vessel steels in hydrogen gas: 1) imposing steeper K-gradients relative to the recommended limits in standards such as ASTM E647, and 2) increasing cyclic loading frequency relative to typical values applied during fatigue crack growth testing of low-alloy steels in hydrogen gas. Recognizing that steeper K-gradients could amplify loading-history effects, test methods employing this approach were designed to mitigate such effects by either maintaining constant K max or gradually increasing the K-gradient as the threshold was approached. Although the varying K-gradient method was vulnerable to loading-history effects in the form of plasticity-induced crack closure, particularly at lower stress ratio (R) and higher starting K max values, these effects could be compensated by applying the adjusted compliance ratio (ACR) method. Here, it was demonstrated that steeper K-gradients in concert with increased cyclic loading frequency reduced the duration of near-threshold fatigue crack growth tests in hydrogen gas by more than 99% relative to standard practices.

Fatigue threshold